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

Systemtic Name: propyl 2-[1-[(Z)-2-acetamido-3-(2-methylphenyl)prop-2-enoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C21H27N3O5 MolecularWeight: 401.45618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5/c1-4-11-29-19(26)13-18-20(27)22-9-10-24(18)21(28)17(23-15(3)25)12-16-8-6-5-7-14(16)2/h5-8,12,18H,4,9-11,13H2,1-3H3,(H,22,27)(H,23,25)/b17-12-