4-[3-(6-carbamimidoyl-4-phenyl-4-propyl-2,3-dihydro-1H-quinolin-2-yl)phenyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 4-[3-(6-carbamimidoyl-4-phenyl-4-propyl-2,3-dihydro-1H-quinolin-2-yl)phenyl]benzene-1,3-dicarboxylic acid Openeye Name: 4-[3-(6-carbamimidoyl-4-phenyl-4-propyl-2,3-dihydro-1H-quinolin-2-yl)phenyl]benzene-1,3-dicarboxylic acid CAS Name: 4-[3-(6-carbamimidoyl-4-phenyl-4-propyl-2,3-dihydro-1H-quinolin-2-yl)phenyl]benzene-1,3-dicarboxylic acid IUPAC Name: 4-[3-(6-carbamimidoyl-4-phenyl-4-propyl-2,3-dihydro-1H-quinolin-2-yl)phenyl]benzene-1,3-dicarboxylic acid Traditional Name: 4-[3-(6-amidino-4-phenyl-4-propyl-2,3-dihydro-1H-quinolin-2-yl)phenyl]isophthalic acid Formula: C33H31N3O4 MolecularWeight: 533.61694

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CC(NC2=C1C=C(C=C2)C(=N)N)C3=CC=CC(=C3)C4=C(C=C(C=C4)C(=O)O)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

CCCC1(CC(NC2=C1C=C(C=C2)C(=N)N)C3=CC=CC(=C3)C4=C(C=C(C=C4)C(=O)O)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C33H31N3O4/c1-2-15-33(24-9-4-3-5-10-24)19-29(36-28-14-12-22(30(34)35)18-27(28)33)21-8-6-7-20(16-21)25-13-11-23(31(37)38)17-26(25)32(39)40/h3-14,16-18,29,36H,2,15,19H2,1H3,(H3,34,35)(H,37,38)(H,39,40)