3-[2-(2-methoxycarbonylphenyl)benzo[e]indol-3-yl]benzoic acid

Systemtic Name: 3-[2-(2-methoxycarbonylphenyl)benzo[e]indol-3-yl]benzoic acid Openeye Name: 3-[2-(2-methoxycarbonylphenyl)benzo[e]indol-3-yl]benzoic acid CAS Name: 3-[2-(2-methoxycarbonylphenyl)-3-benzo[e]indolyl]benzoic acid IUPAC Name: 3-[2-(2-methoxycarbonylphenyl)benzo[e]indol-3-yl]benzoic acid Traditional Name: 3-[2-(2-carbomethoxyphenyl)benz[e]indol-3-yl]benzoic acid Formula: C27H19NO4 MolecularWeight: 421.44406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C2=CC3=C(N2C4=CC=CC(=C4)C(=O)O)C=CC5=CC=CC=C53

Isomeric SMILES

COC(=O)C1=CC=CC=C1C2=CC3=C(N2C4=CC=CC(=C4)C(=O)O)C=CC5=CC=CC=C53

InChI

InChI=1S/C27H19NO4/c1-32-27(31)22-12-5-4-11-21(22)25-16-23-20-10-3-2-7-17(20)13-14-24(23)28(25)19-9-6-8-18(15-19)26(29)30/h2-16H,1H3,(H,29,30)