ethyl 2-[2-[1-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidin-3-yl]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: ethyl 2-[2-[1-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidin-3-yl]ethanoylamino]-3-phenyl-propanoate Openeye Name: ethyl 2-[[2-[1-(4-carbamimidoylphenyl)-2-oxo-3-piperidyl]acetyl]amino]-3-phenyl-propanoate CAS Name: 2-[[2-[1-(4-carbamimidoylphenyl)-2-oxo-3-piperidinyl]-1-oxoethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[1-(4-carbamimidoylphenyl)-2-oxopiperidin-3-yl]acetyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-[1-(4-amidinophenyl)-2-keto-3-piperidyl]acetyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C25H30N4O4 MolecularWeight: 450.5301

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)CC2CCCN(C2=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)CC2CCCN(C2=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C25H30N4O4/c1-2-33-25(32)21(15-17-7-4-3-5-8-17)28-22(30)16-19-9-6-14-29(24(19)31)20-12-10-18(11-13-20)23(26)27/h3-5,7-8,10-13,19,21H,2,6,9,14-16H2,1H3,(H3,26,27)(H,28,30)