ethyl 2-[1-[(Z)-2-acetamido-3-(2-methylphenyl)prop-2-enoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: ethyl 2-[1-[(Z)-2-acetamido-3-(2-methylphenyl)prop-2-enoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: ethyl 2-[1-[(Z)-2-acetamido-3-(o-tolyl)prop-2-enoyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(Z)-2-acetamido-3-(2-methylphenyl)-1-oxoprop-2-enyl]-3-oxo-2-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[(Z)-2-acetamido-3-(2-methylphenyl)prop-2-enoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(Z)-2-acetamido-3-(o-tolyl)acryloyl]-3-keto-piperazin-2-yl]acetic acid ethyl ester Formula: C20H25N3O5 MolecularWeight: 387.4296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)NCCN1C(=O)C(=CC2=CC=CC=C2C)NC(=O)C

Isomeric SMILES

CCOC(=O)CC1C(=O)NCCN1C(=O)/C(=C/C2=CC=CC=C2C)/NC(=O)C

InChI

InChI=1S/C20H25N3O5/c1-4-28-18(25)12-17-19(26)21-9-10-23(17)20(27)16(22-14(3)24)11-15-8-6-5-7-13(15)2/h5-8,11,17H,4,9-10,12H2,1-3H3,(H,21,26)(H,22,24)/b16-11-