(phenylmethyl) 3-carbamimidoyl-4-(1-propanoyl-3,4-dihydro-2H-quinolin-2-yl)benzoate

Systemtic Name: (phenylmethyl) 3-carbamimidoyl-4-(1-propanoyl-3,4-dihydro-2H-quinolin-2-yl)benzoate Openeye Name: benzyl 3-carbamimidoyl-4-(1-propanoyl-3,4-dihydro-2H-quinolin-2-yl)benzoate CAS Name: 3-carbamimidoyl-4-[1-(1-oxopropyl)-3,4-dihydro-2H-quinolin-2-yl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-carbamimidoyl-4-(1-propanoyl-3,4-dihydro-2H-quinolin-2-yl)benzoate Traditional Name: 3-amidino-4-(1-propionyl-3,4-dihydro-2H-quinolin-2-yl)benzoic acid benzyl ester Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(CCC2=CC=CC=C21)C3=C(C=C(C=C3)C(=O)OCC4=CC=CC=C4)C(=N)N

Isomeric SMILES

CCC(=O)N1C(CCC2=CC=CC=C21)C3=C(C=C(C=C3)C(=O)OCC4=CC=CC=C4)C(=N)N

InChI

InChI=1S/C27H27N3O3/c1-2-25(31)30-23-11-7-6-10-19(23)13-15-24(30)21-14-12-20(16-22(21)26(28)29)27(32)33-17-18-8-4-3-5-9-18/h3-12,14,16,24H,2,13,15,17H2,1H3,(H3,28,29)