ethyl 1-[[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]carbonyl]pyrrolidine-2-carboxylate

Systemtic Name: ethyl 1-[[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]carbonyl]pyrrolidine-2-carboxylate Openeye Name: ethyl 1-[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinoline-6-carbonyl]pyrrolidine-2-carboxylate CAS Name: 1-[[1-[3-(4-carbamimidoylphenyl)-1-oxopropyl]-3,4-dihydro-2H-quinolin-6-yl]-oxomethyl]-2-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinoline-6-carbonyl]pyrrolidine-2-carboxylate Traditional Name: 1-[1-[3-(4-amidinophenyl)propanoyl]-3,4-dihydro-2H-quinoline-6-carbonyl]pyrrolidine-2-carboxylic acid ethyl ester Formula: C27H32N4O4 MolecularWeight: 476.56738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN1C(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)CCC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CCOC(=O)C1CCCN1C(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)CCC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C27H32N4O4/c1-2-35-27(34)23-6-4-16-31(23)26(33)21-12-13-22-20(17-21)5-3-15-30(22)24(32)14-9-18-7-10-19(11-8-18)25(28)29/h7-8,10-13,17,23H,2-6,9,14-16H2,1H3,(H3,28,29)