ethyl 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(3,4-dichlorophenyl)propanoate

Systemtic Name: ethyl 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(3,4-dichlorophenyl)propanoate Openeye Name: ethyl 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(3,4-dichlorophenyl)propanoate CAS Name: 3-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]-3-(3,4-dichlorophenyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(3,4-dichlorophenyl)propanoate Traditional Name: 3-[5-(4-amidinophenyl)pentanoylamino]-3-(3,4-dichlorophenyl)propionic acid ethyl ester Formula: C23H27Cl2N3O3 MolecularWeight: 464.38478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC(=C(C=C1)Cl)Cl)NC(=O)CCCCC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCOC(=O)CC(C1=CC(=C(C=C1)Cl)Cl)NC(=O)CCCCC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C23H27Cl2N3O3/c1-2-31-22(30)14-20(17-11-12-18(24)19(25)13-17)28-21(29)6-4-3-5-15-7-9-16(10-8-15)23(26)27/h7-13,20H,2-6,14H2,1H3,(H3,26,27)(H,28,29)