ethyl 3-[2-[2-oxidanylidene-4-[4-(C-piperidin-1-ylcarbonimidoyl)phenyl]piperazin-1-yl]ethanoylamino]-5-phenyl-pentanoate

Systemtic Name: ethyl 3-[2-[2-oxidanylidene-4-[4-(C-piperidin-1-ylcarbonimidoyl)phenyl]piperazin-1-yl]ethanoylamino]-5-phenyl-pentanoate Openeye Name: ethyl 3-[[2-[2-oxo-4-[4-(piperidine-1-carboximidoyl)phenyl]piperazin-1-yl]acetyl]amino]-5-phenyl-pentanoate CAS Name: 3-[[2-[4-[4-[imino(1-piperidinyl)methyl]phenyl]-2-oxo-1-piperazinyl]-1-oxoethyl]amino]-5-phenylpentanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[2-oxo-4-[4-(piperidine-1-carboximidoyl)phenyl]piperazin-1-yl]acetyl]amino]-5-phenylpentanoate Traditional Name: 3-[[2-[2-keto-4-[4-(piperidine-1-carboximidoyl)phenyl]piperazino]acetyl]amino]-5-phenyl-valeric acid ethyl ester Formula: C31H41N5O4 MolecularWeight: 547.68834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CCC1=CC=CC=C1)NC(=O)CN2CCN(CC2=O)C3=CC=C(C=C3)C(=N)N4CCCCC4

Isomeric SMILES

CCOC(=O)CC(CCC1=CC=CC=C1)NC(=O)CN2CCN(CC2=O)C3=CC=C(C=C3)C(=N)N4CCCCC4

InChI

InChI=1S/C31H41N5O4/c1-2-40-30(39)21-26(14-11-24-9-5-3-6-10-24)33-28(37)22-36-20-19-35(23-29(36)38)27-15-12-25(13-16-27)31(32)34-17-7-4-8-18-34/h3,5-6,9-10,12-13,15-16,26,32H,2,4,7-8,11,14,17-23H2,1H3,(H,33,37)