2-[1-[2-[methyl(phenethyl)amino]-2-oxidanylidene-ethyl]-5-phenylmethoxy-indol-3-yl]carbonylbenzoic acid

Systemtic Name: 2-[1-[2-[methyl(phenethyl)amino]-2-oxidanylidene-ethyl]-5-phenylmethoxy-indol-3-yl]carbonylbenzoic acid Openeye Name: 2-[5-benzyloxy-1-[2-[methyl(phenethyl)amino]-2-oxo-ethyl]indole-3-carbonyl]benzoic acid CAS Name: 2-[[1-[2-[methyl(phenethyl)amino]-2-oxoethyl]-5-phenylmethoxy-3-indolyl]-oxomethyl]benzoic acid IUPAC Name: 2-[1-[2-[methyl(phenethyl)amino]-2-oxoethyl]-5-phenylmethoxyindole-3-carbonyl]benzoic acid Traditional Name: 2-[5-benzoxy-1-[2-keto-2-[methyl(phenethyl)amino]ethyl]indole-3-carbonyl]benzoic acid Formula: C34H30N2O5 MolecularWeight: 546.6124

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C(=O)CN2C=C(C3=C2C=CC(=C3)OCC4=CC=CC=C4)C(=O)C5=CC=CC=C5C(=O)O

Isomeric SMILES

CN(CCC1=CC=CC=C1)C(=O)CN2C=C(C3=C2C=CC(=C3)OCC4=CC=CC=C4)C(=O)C5=CC=CC=C5C(=O)O

InChI

InChI=1S/C34H30N2O5/c1-35(19-18-24-10-4-2-5-11-24)32(37)22-36-21-30(33(38)27-14-8-9-15-28(27)34(39)40)29-20-26(16-17-31(29)36)41-23-25-12-6-3-7-13-25/h2-17,20-21H,18-19,22-23H2,1H3,(H,39,40)