ethyl 1-[3-(dimethylamino)propyl]-3-(diphenylmethyl)-5-nitro-indole-2-carboxylate

Systemtic Name: ethyl 1-[3-(dimethylamino)propyl]-3-(diphenylmethyl)-5-nitro-indole-2-carboxylate Openeye Name: ethyl 3-benzhydryl-1-[3-(dimethylamino)propyl]-5-nitro-indole-2-carboxylate CAS Name: 1-[3-(dimethylamino)propyl]-3-(diphenylmethyl)-5-nitro-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzhydryl-1-[3-(dimethylamino)propyl]-5-nitroindole-2-carboxylate Traditional Name: 3-benzhydryl-1-[3-(dimethylamino)propyl]-5-nitro-indole-2-carboxylic acid ethyl ester Formula: C29H31N3O4 MolecularWeight: 485.57414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1CCCN(C)C)C=CC(=C2)[N+](=O)[O-])C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1CCCN(C)C)C=CC(=C2)[N+](=O)[O-])C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H31N3O4/c1-4-36-29(33)28-27(26(21-12-7-5-8-13-21)22-14-9-6-10-15-22)24-20-23(32(34)35)16-17-25(24)31(28)19-11-18-30(2)3/h5-10,12-17,20,26H,4,11,18-19H2,1-3H3