7-(4-carboxy-2-nitro-phenyl)-3-(3-naphthalen-1-yloxypropyl)-1H-indole-2-carboxylic acid

Systemtic Name: 7-(4-carboxy-2-nitro-phenyl)-3-(3-naphthalen-1-yloxypropyl)-1H-indole-2-carboxylic acid Openeye Name: 7-(4-carboxy-2-nitro-phenyl)-3-[3-(1-naphthyloxy)propyl]-1H-indole-2-carboxylic acid CAS Name: 7-(4-carboxy-2-nitrophenyl)-3-[3-(1-naphthalenyloxy)propyl]-1H-indole-2-carboxylic acid IUPAC Name: 7-(4-carboxy-2-nitrophenyl)-3-(3-naphthalen-1-yloxypropyl)-1H-indole-2-carboxylic acid Traditional Name: 7-(4-carboxy-2-nitro-phenyl)-3-[3-(1-naphthoxy)propyl]-1H-indole-2-carboxylic acid Formula: C29H22N2O7 MolecularWeight: 510.49418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2OCCCC3=C(NC4=C3C=CC=C4C5=C(C=C(C=C5)C(=O)O)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2OCCCC3=C(NC4=C3C=CC=C4C5=C(C=C(C=C5)C(=O)O)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C29H22N2O7/c32-28(33)18-13-14-20(24(16-18)31(36)37)21-9-4-10-22-23(27(29(34)35)30-26(21)22)11-5-15-38-25-12-3-7-17-6-1-2-8-19(17)25/h1-4,6-10,12-14,16,30H,5,11,15H2,(H,32,33)(H,34,35)