2-[2-[[5-carbamimidoyl-3-(phenylcarbamoyl)indol-1-yl]methyl]phenyl]-5-methoxy-benzoic acid

Systemtic Name: 2-[2-[[5-carbamimidoyl-3-(phenylcarbamoyl)indol-1-yl]methyl]phenyl]-5-methoxy-benzoic acid Openeye Name: 2-[2-[[5-carbamimidoyl-3-(phenylcarbamoyl)indol-1-yl]methyl]phenyl]-5-methoxy-benzoic acid CAS Name: 2-[2-[[3-[anilino(oxo)methyl]-5-carbamimidoyl-1-indolyl]methyl]phenyl]-5-methoxybenzoic acid IUPAC Name: 2-[2-[[5-carbamimidoyl-3-(phenylcarbamoyl)indol-1-yl]methyl]phenyl]-5-methoxybenzoic acid Traditional Name: 2-[2-[[5-amidino-3-(phenylcarbamoyl)indol-1-yl]methyl]phenyl]-5-methoxy-benzoic acid Formula: C31H26N4O4 MolecularWeight: 518.56254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=CC=CC=C2CN3C=C(C4=C3C=CC(=C4)C(=N)N)C(=O)NC5=CC=CC=C5)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)C2=CC=CC=C2CN3C=C(C4=C3C=CC(=C4)C(=N)N)C(=O)NC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C31H26N4O4/c1-39-22-12-13-24(26(16-22)31(37)38)23-10-6-5-7-20(23)17-35-18-27(30(36)34-21-8-3-2-4-9-21)25-15-19(29(32)33)11-14-28(25)35/h2-16,18H,17H2,1H3,(H3,32,33)(H,34,36)(H,37,38)