(diphenylmethyl) 3-[4-(2-azanylethyl)-2,3-bis(oxidanylidene)piperazin-1-yl]-3-pyridin-3-yl-propanoate

Systemtic Name: (diphenylmethyl) 3-[4-(2-azanylethyl)-2,3-bis(oxidanylidene)piperazin-1-yl]-3-pyridin-3-yl-propanoate Openeye Name: benzhydryl 3-[4-(2-aminoethyl)-2,3-dioxo-piperazin-1-yl]-3-(3-pyridyl)propanoate CAS Name: 3-[4-(2-aminoethyl)-2,3-dioxo-1-piperazinyl]-3-(3-pyridinyl)propanoic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 3-[4-(2-aminoethyl)-2,3-dioxopiperazin-1-yl]-3-pyridin-3-ylpropanoate Traditional Name: 3-[4-(2-aminoethyl)-2,3-diketo-piperazino]-3-(3-pyridyl)propionic acid benzhydryl ester Formula: C27H28N4O4 MolecularWeight: 472.53562

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C(=O)N1CCN)C(CC(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

C1CN(C(=O)C(=O)N1CCN)C(CC(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C27H28N4O4/c28-13-15-30-16-17-31(27(34)26(30)33)23(22-12-7-14-29-19-22)18-24(32)35-25(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-12,14,19,23,25H,13,15-18,28H2