tert-butyl 7-acetamido-1-(chloromethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indole-3-carboxylate

Systemtic Name: tert-butyl 7-acetamido-1-(chloromethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indole-3-carboxylate Openeye Name: tert-butyl 7-acetamido-5-benzyloxy-1-(chloromethyl)-1,2-dihydrobenzo[e]indole-3-carboxylate CAS Name: 7-acetamido-1-(chloromethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-acetamido-1-(chloromethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indole-3-carboxylate Traditional Name: 7-acetamido-5-benzoxy-1-(chloromethyl)-1,2-dihydrobenz[e]indole-3-carboxylic acid tert-butyl ester Formula: C27H29ClN2O4 MolecularWeight: 480.98316

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C3C(=C2C=C1)C(CN3C(=O)OC(C)(C)C)CCl)OCC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C3C(=C2C=C1)C(CN3C(=O)OC(C)(C)C)CCl)OCC4=CC=CC=C4

InChI

InChI=1S/C27H29ClN2O4/c1-17(31)29-20-10-11-21-22(12-20)24(33-16-18-8-6-5-7-9-18)13-23-25(21)19(14-28)15-30(23)26(32)34-27(2,3)4/h5-13,19H,14-16H2,1-4H3,(H,29,31)