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

Systemtic Name: ethyl 1-[[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]carbonyl]piperidine-2-carboxylate Openeye Name: ethyl 1-[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinoline-6-carbonyl]piperidine-2-carboxylate CAS Name: 1-[[1-[3-(4-carbamimidoylphenyl)-1-oxopropyl]-3,4-dihydro-2H-quinolin-6-yl]-oxomethyl]-2-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinoline-6-carbonyl]piperidine-2-carboxylate Traditional Name: 1-[1-[3-(4-amidinophenyl)propanoyl]-3,4-dihydro-2H-quinoline-6-carbonyl]pipecolinic acid ethyl ester Formula: C28H34N4O4 MolecularWeight: 490.59396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCN1C(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)CCC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CCOC(=O)C1CCCCN1C(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)CCC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C28H34N4O4/c1-2-36-28(35)24-7-3-4-16-32(24)27(34)22-13-14-23-21(18-22)6-5-17-31(23)25(33)15-10-19-8-11-20(12-9-19)26(29)30/h8-9,11-14,18,24H,2-7,10,15-17H2,1H3,(H3,29,30)