4-[2-[2-(2-azanylethyl)-1-(diphenylmethyl)-5-nitro-indol-3-yl]ethoxy]benzoic acid

Systemtic Name: 4-[2-[2-(2-azanylethyl)-1-(diphenylmethyl)-5-nitro-indol-3-yl]ethoxy]benzoic acid Openeye Name: 4-[2-[2-(2-aminoethyl)-1-benzhydryl-5-nitro-indol-3-yl]ethoxy]benzoic acid CAS Name: 4-[2-[2-(2-aminoethyl)-1-(diphenylmethyl)-5-nitro-3-indolyl]ethoxy]benzoic acid IUPAC Name: 4-[2-[2-(2-aminoethyl)-1-benzhydryl-5-nitroindol-3-yl]ethoxy]benzoic acid Traditional Name: 4-[2-[2-(2-aminoethyl)-1-benzhydryl-5-nitro-indol-3-yl]ethoxy]benzoic acid Formula: C32H29N3O5 MolecularWeight: 535.58976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)N3C4=C(C=C(C=C4)[N+](=O)[O-])C(=C3CCN)CCOC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)N3C4=C(C=C(C=C4)[N+](=O)[O-])C(=C3CCN)CCOC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C32H29N3O5/c33-19-17-30-27(18-20-40-26-14-11-24(12-15-26)32(36)37)28-21-25(35(38)39)13-16-29(28)34(30)31(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-16,21,31H,17-20,33H2,(H,36,37)