tert-butyl 1-(chloromethyl)-8-methoxy-5-phenylmethoxy-1,2-dihydrobenzo[e]indole-3-carboxylate

Systemtic Name: tert-butyl 1-(chloromethyl)-8-methoxy-5-phenylmethoxy-1,2-dihydrobenzo[e]indole-3-carboxylate Openeye Name: tert-butyl 5-benzyloxy-1-(chloromethyl)-8-methoxy-1,2-dihydrobenzo[e]indole-3-carboxylate CAS Name: 1-(chloromethyl)-8-methoxy-5-phenylmethoxy-1,2-dihydrobenzo[e]indole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(chloromethyl)-8-methoxy-5-phenylmethoxy-1,2-dihydrobenzo[e]indole-3-carboxylate Traditional Name: 5-benzoxy-1-(chloromethyl)-8-methoxy-1,2-dihydrobenz[e]indole-3-carboxylic acid tert-butyl ester Formula: C26H28ClNO4 MolecularWeight: 453.95782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C2=C3C=C(C=CC3=C(C=C21)OCC4=CC=CC=C4)OC)CCl

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(C2=C3C=C(C=CC3=C(C=C21)OCC4=CC=CC=C4)OC)CCl

InChI

InChI=1S/C26H28ClNO4/c1-26(2,3)32-25(29)28-15-18(14-27)24-21-12-19(30-4)10-11-20(21)23(13-22(24)28)31-16-17-8-6-5-7-9-17/h5-13,18H,14-16H2,1-4H3