ethyl 3-oxidanylidene-3-[4-(phenylmethyl)-2-pyrrolidin-1-ylcarbonyl-piperazin-1-yl]propanoate

Systemtic Name: ethyl 3-oxidanylidene-3-[4-(phenylmethyl)-2-pyrrolidin-1-ylcarbonyl-piperazin-1-yl]propanoate Openeye Name: ethyl 3-[4-benzyl-2-(pyrrolidine-1-carbonyl)piperazin-1-yl]-3-oxo-propanoate CAS Name: 3-oxo-3-[2-[oxo(1-pyrrolidinyl)methyl]-4-(phenylmethyl)-1-piperazinyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-benzyl-2-(pyrrolidine-1-carbonyl)piperazin-1-yl]-3-oxopropanoate Traditional Name: 3-[4-benzyl-2-(pyrrolidine-1-carbonyl)piperazino]-3-keto-propionic acid ethyl ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)N1CCN(CC1C(=O)N2CCCC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC(=O)N1CCN(CC1C(=O)N2CCCC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H29N3O4/c1-2-28-20(26)14-19(25)24-13-12-22(15-17-8-4-3-5-9-17)16-18(24)21(27)23-10-6-7-11-23/h3-5,8-9,18H,2,6-7,10-16H2,1H3