4-(2-methylphenyl)-1-(3-naphthalen-1-yloxypropyl)-3-phenylazanyl-indole-2-carboxylic acid

Systemtic Name: 4-(2-methylphenyl)-1-(3-naphthalen-1-yloxypropyl)-3-phenylazanyl-indole-2-carboxylic acid Openeye Name: 3-anilino-1-[3-(1-naphthyloxy)propyl]-4-(o-tolyl)indole-2-carboxylic acid CAS Name: 3-anilino-4-(2-methylphenyl)-1-[3-(1-naphthalenyloxy)propyl]-2-indolecarboxylic acid IUPAC Name: 3-anilino-4-(2-methylphenyl)-1-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid Traditional Name: 3-anilino-1-[3-(1-naphthoxy)propyl]-4-(o-tolyl)indole-2-carboxylic acid Formula: C35H30N2O3 MolecularWeight: 526.6243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C3C(=CC=C2)N(C(=C3NC4=CC=CC=C4)C(=O)O)CCCOC5=CC=CC6=CC=CC=C65

Isomeric SMILES

CC1=CC=CC=C1C2=C3C(=CC=C2)N(C(=C3NC4=CC=CC=C4)C(=O)O)CCCOC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C35H30N2O3/c1-24-12-5-7-17-27(24)29-19-10-20-30-32(29)33(36-26-15-3-2-4-16-26)34(35(38)39)37(30)22-11-23-40-31-21-9-14-25-13-6-8-18-28(25)31/h2-10,12-21,36H,11,22-23H2,1H3,(H,38,39)