tert-butyl (2R,3S)-2-bromanyl-3-[[5,7-dimethoxy-6-methyl-4-phenylmethoxy-3-(prop-2-ynoxymethyl)indol-1-yl]methyl]aziridine-1-carboxylate

Systemtic Name: tert-butyl (2R,3S)-2-bromanyl-3-[[5,7-dimethoxy-6-methyl-4-phenylmethoxy-3-(prop-2-ynoxymethyl)indol-1-yl]methyl]aziridine-1-carboxylate Openeye Name: tert-butyl (2S,3R)-2-[[4-benzyloxy-5,7-dimethoxy-6-methyl-3-(prop-2-ynoxymethyl)indol-1-yl]methyl]-3-bromo-aziridine-1-carboxylate CAS Name: (2R,3S)-2-bromo-3-[[5,7-dimethoxy-6-methyl-4-phenylmethoxy-3-(prop-2-ynoxymethyl)-1-indolyl]methyl]-1-aziridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R,3S)-2-bromo-3-[[5,7-dimethoxy-6-methyl-4-phenylmethoxy-3-(prop-2-ynoxymethyl)indol-1-yl]methyl]aziridine-1-carboxylate Traditional Name: (2S,3R)-2-[[4-benzoxy-5,7-dimethoxy-6-methyl-3-(propargyloxymethyl)indol-1-yl]methyl]-3-bromo-ethylenimine-1-carboxylic acid tert-butyl ester Formula: C30H35BrN2O6 MolecularWeight: 599.5127

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C(=CN2CC3C(N3C(=O)OC(C)(C)C)Br)COCC#C)C(=C1OC)OCC4=CC=CC=C4)OC

Isomeric SMILES

CC1=C(C2=C(C(=CN2C[C@H]3[C@H](N3C(=O)OC(C)(C)C)Br)COCC#C)C(=C1OC)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C30H35BrN2O6/c1-8-14-37-18-21-15-32(16-22-28(31)33(22)29(34)39-30(3,4)5)24-23(21)27(26(36-7)19(2)25(24)35-6)38-17-20-12-10-9-11-13-20/h1,9-13,15,22,28H,14,16-18H2,2-7H3/t22-,28-,33?/m0/s1