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

Systemtic Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-(2-phenylethanoylamino)phenyl]-5-methoxy-benzoic acid Openeye Name: 2-[2-[(5-carbamimidoylindolin-1-yl)methyl]-5-[(2-phenylacetyl)amino]phenyl]-5-methoxy-benzoic acid CAS Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-[(1-oxo-2-phenylethyl)amino]phenyl]-5-methoxybenzoic acid IUPAC Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-[(2-phenylacetyl)amino]phenyl]-5-methoxybenzoic acid Traditional Name: 2-[2-[(5-amidinoindolin-1-yl)methyl]-5-[(2-phenylacetyl)amino]phenyl]-5-methoxy-benzoic acid Formula: C32H30N4O4 MolecularWeight: 534.605

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)CN4CCC5=C4C=CC(=C5)C(=N)N)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)C2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)CN4CCC5=C4C=CC(=C5)C(=N)N)C(=O)O

InChI

InChI=1S/C32H30N4O4/c1-40-25-10-11-26(28(18-25)32(38)39)27-17-24(35-30(37)15-20-5-3-2-4-6-20)9-7-23(27)19-36-14-13-21-16-22(31(33)34)8-12-29(21)36/h2-12,16-18H,13-15,19H2,1H3,(H3,33,34)(H,35,37)(H,38,39)