5-acetamido-2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)phenyl]benzoic acid

Systemtic Name: 5-acetamido-2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)phenyl]benzoic acid Openeye Name: 5-acetamido-2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)phenyl]benzoic acid CAS Name: 5-acetamido-2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)phenyl]benzoic acid IUPAC Name: 5-acetamido-2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)phenyl]benzoic acid Traditional Name: 5-acetamido-2-[3-(6-amidino-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)phenyl]benzoic acid Formula: C32H30N4O3 MolecularWeight: 518.6056

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C2=CC(=CC=C2)C3CC(C4=C(N3)C=CC(=C4)C(=N)N)(C)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C2=CC(=CC=C2)C3CC(C4=C(N3)C=CC(=C4)C(=N)N)(C)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C32H30N4O3/c1-19(37)35-24-12-13-25(26(17-24)31(38)39)20-7-6-8-21(15-20)29-18-32(2,23-9-4-3-5-10-23)27-16-22(30(33)34)11-14-28(27)36-29/h3-17,29,36H,18H2,1-2H3,(H3,33,34)(H,35,37)(H,38,39)