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

Systemtic Name: 2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)phenyl]benzoic acid Openeye Name: 2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)phenyl]benzoic acid CAS Name: 2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)phenyl]benzoic acid IUPAC Name: 2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)phenyl]benzoic acid Traditional Name: 2-[3-(6-amidino-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)phenyl]benzoic acid Formula: C30H27N3O2 MolecularWeight: 461.55428

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(NC2=C1C=C(C=C2)C(=N)N)C3=CC=CC(=C3)C4=CC=CC=C4C(=O)O)C5=CC=CC=C5

Isomeric SMILES

CC1(CC(NC2=C1C=C(C=C2)C(=N)N)C3=CC=CC(=C3)C4=CC=CC=C4C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C30H27N3O2/c1-30(22-10-3-2-4-11-22)18-27(33-26-15-14-21(28(31)32)17-25(26)30)20-9-7-8-19(16-20)23-12-5-6-13-24(23)29(34)35/h2-17,27,33H,18H2,1H3,(H3,31,32)(H,34,35)