3-methoxy-4-[[6-[(phenylmethyl)carbamoylamino]indol-1-yl]methyl]benzoic acid

Systemtic Name: 3-methoxy-4-[[6-[(phenylmethyl)carbamoylamino]indol-1-yl]methyl]benzoic acid Openeye Name: 4-[[6-(benzylcarbamoylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid CAS Name: 3-methoxy-4-[[6-[[oxo-[(phenylmethyl)amino]methyl]amino]-1-indolyl]methyl]benzoic acid IUPAC Name: 4-[[6-(benzylcarbamoylamino)indol-1-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[6-(benzylcarbamoylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid Formula: C25H23N3O4 MolecularWeight: 429.46782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)O)CN2C=CC3=C2C=C(C=C3)NC(=O)NCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)CN2C=CC3=C2C=C(C=C3)NC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C25H23N3O4/c1-32-23-13-19(24(29)30)7-8-20(23)16-28-12-11-18-9-10-21(14-22(18)28)27-25(31)26-15-17-5-3-2-4-6-17/h2-14H,15-16H2,1H3,(H,29,30)(H2,26,27,31)