tert-butyl (3S)-3-(acetyloxymethyl)-5-[[(E)-4-methoxy-4-oxidanylidene-but-2-en-2-yl]amino]-6-phenylmethoxy-2,3-dihydroindole-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-(acetyloxymethyl)-5-[[(E)-4-methoxy-4-oxidanylidene-but-2-en-2-yl]amino]-6-phenylmethoxy-2,3-dihydroindole-1-carboxylate Openeye Name: tert-butyl (3S)-3-(acetoxymethyl)-6-benzyloxy-5-[[(E)-3-methoxy-1-methyl-3-oxo-prop-1-enyl]amino]indoline-1-carboxylate CAS Name: (3S)-3-(acetyloxymethyl)-5-[[(E)-4-methoxy-4-oxobut-2-en-2-yl]amino]-6-phenylmethoxy-2,3-dihydroindole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-(acetyloxymethyl)-5-[[(E)-4-methoxy-4-oxobut-2-en-2-yl]amino]-6-phenylmethoxy-2,3-dihydroindole-1-carboxylate Traditional Name: (3S)-3-(acetoxymethyl)-6-benzoxy-5-[[(E)-3-keto-3-methoxy-1-methyl-prop-1-enyl]amino]indoline-1-carboxylic acid tert-butyl ester Formula: C28H34N2O7 MolecularWeight: 510.57876

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OC)NC1=C(C=C2C(=C1)C(CN2C(=O)OC(C)(C)C)COC(=O)C)OCC3=CC=CC=C3

Isomeric SMILES

C/C(=C\C(=O)OC)/NC1=C(C=C2C(=C1)[C@@H](CN2C(=O)OC(C)(C)C)COC(=O)C)OCC3=CC=CC=C3

InChI

InChI=1S/C28H34N2O7/c1-18(12-26(32)34-6)29-23-13-22-21(17-35-19(2)31)15-30(27(33)37-28(3,4)5)24(22)14-25(23)36-16-20-10-8-7-9-11-20/h7-14,21,29H,15-17H2,1-6H3/b18-12+/t21-/m0/s1