tert-butyl 2-[(1R,4S,5S,6S,7S)-6-[cyanomethyl(methyl)amino]-7-(hydroxymethyl)-1'-(methoxymethyl)-2'-oxidanylidene-spiro[bicyclo[3.2.1]oct-2-ene-4,3'-indole]-8-ylidene]ethanoate

Systemtic Name: tert-butyl 2-[(1R,4S,5S,6S,7S)-6-[cyanomethyl(methyl)amino]-7-(hydroxymethyl)-1'-(methoxymethyl)-2'-oxidanylidene-spiro[bicyclo[3.2.1]oct-2-ene-4,3'-indole]-8-ylidene]ethanoate Openeye Name: tert-butyl 2-[(1R,4S,5S,6S,7S)-6-[cyanomethyl(methyl)amino]-7-(hydroxymethyl)-1'-(methoxymethyl)-2'-oxo-spiro[bicyclo[3.2.1]oct-2-ene-4,3'-indoline]-8-ylidene]acetate CAS Name: 2-[(1R,4S,5S,6S,7S)-6-[cyanomethyl(methyl)amino]-7-(hydroxymethyl)-1'-(methoxymethyl)-2'-oxo-8-spiro[bicyclo[3.2.1]oct-2-ene-4,3'-indole]ylidene]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(1R,4S,5S,6S,7S)-6-[cyanomethyl(methyl)amino]-7-(hydroxymethyl)-1'-(methoxymethyl)-2'-oxospiro[bicyclo[3.2.1]oct-2-ene-4,3'-indole]-8-ylidene]acetate Traditional Name: 2-[(1R,4S,5S,6S,7S)-6-[cyanomethyl(methyl)amino]-2'-keto-1'-(methoxymethyl)-7-methylol-spiro[bicyclo[3.2.1]oct-2-ene-4,3'-indoline]-8-ylidene]acetic acid tert-butyl ester Formula: C27H33N3O5 MolecularWeight: 479.56802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C=C1C2C=CC3(C1C(C2CO)N(C)CC#N)C4=CC=CC=C4N(C3=O)COC

Isomeric SMILES

CC(C)(C)OC(=O)C=C1[C@@H]2C=C[C@]3([C@H]1[C@@H]([C@H]2CO)N(C)CC#N)C4=CC=CC=C4N(C3=O)COC

InChI

InChI=1S/C27H33N3O5/c1-26(2,3)35-22(32)14-18-17-10-11-27(23(18)24(19(17)15-31)29(4)13-12-28)20-8-6-7-9-21(20)30(16-34-5)25(27)33/h6-11,14,17,19,23-24,31H,13,15-16H2,1-5H3/t17-,19-,23+,24+,27+/m0/s1