methyl 3-[(phenylmethyl)-[4-(2-pyridin-4-ylpiperazin-1-yl)phenyl]carbonyl-amino]propanoate

Systemtic Name: methyl 3-[(phenylmethyl)-[4-(2-pyridin-4-ylpiperazin-1-yl)phenyl]carbonyl-amino]propanoate Openeye Name: methyl 3-[benzyl-[4-[2-(4-pyridyl)piperazin-1-yl]benzoyl]amino]propanoate CAS Name: 3-[[oxo-[4-(2-pyridin-4-yl-1-piperazinyl)phenyl]methyl]-(phenylmethyl)amino]propanoic acid methyl ester IUPAC Name: methyl 3-[benzyl-[4-(2-pyridin-4-ylpiperazin-1-yl)benzoyl]amino]propanoate Traditional Name: 3-[benzyl-[4-[2-(4-pyridyl)piperazino]benzoyl]amino]propionic acid methyl ester Formula: C27H30N4O3 MolecularWeight: 458.5521

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN(CC1=CC=CC=C1)C(=O)C2=CC=C(C=C2)N3CCNCC3C4=CC=NC=C4

Isomeric SMILES

COC(=O)CCN(CC1=CC=CC=C1)C(=O)C2=CC=C(C=C2)N3CCNCC3C4=CC=NC=C4

InChI

InChI=1S/C27H30N4O3/c1-34-26(32)13-17-30(20-21-5-3-2-4-6-21)27(33)23-7-9-24(10-8-23)31-18-16-29-19-25(31)22-11-14-28-15-12-22/h2-12,14-15,25,29H,13,16-20H2,1H3