2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-4-methoxy-5-(phenylcarbamoyl)phenyl]benzoic acid

Systemtic Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-4-methoxy-5-(phenylcarbamoyl)phenyl]benzoic acid Openeye Name: 2-[2-[(5-carbamimidoylindolin-1-yl)methyl]-4-methoxy-5-(phenylcarbamoyl)phenyl]benzoic acid CAS Name: 2-[5-[anilino(oxo)methyl]-2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-4-methoxyphenyl]benzoic acid IUPAC Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-4-methoxy-5-(phenylcarbamoyl)phenyl]benzoic acid Traditional Name: 2-[2-[(5-amidinoindolin-1-yl)methyl]-4-methoxy-5-(phenylcarbamoyl)phenyl]benzoic acid Formula: C31H28N4O4 MolecularWeight: 520.57842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN2CCC3=C2C=CC(=C3)C(=N)N)C4=CC=CC=C4C(=O)O)C(=O)NC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C(C(=C1)CN2CCC3=C2C=CC(=C3)C(=N)N)C4=CC=CC=C4C(=O)O)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C31H28N4O4/c1-39-28-16-21(18-35-14-13-19-15-20(29(32)33)11-12-27(19)35)25(23-9-5-6-10-24(23)31(37)38)17-26(28)30(36)34-22-7-3-2-4-8-22/h2-12,15-17H,13-14,18H2,1H3,(H3,32,33)(H,34,36)(H,37,38)