[3-[(Z)-2-cyano-3-oxidanylidene-3-(oxolan-2-ylmethylamino)prop-1-enyl]phenyl] 3-methylbenzoate

Systemtic Name: [3-[(Z)-2-cyano-3-oxidanylidene-3-(oxolan-2-ylmethylamino)prop-1-enyl]phenyl] 3-methylbenzoate Openeye Name: [3-[(Z)-2-cyano-3-oxo-3-(tetrahydrofuran-2-ylmethylamino)prop-1-enyl]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [3-[(Z)-2-cyano-3-oxo-3-(2-oxolanylmethylamino)prop-1-enyl]phenyl] ester IUPAC Name: [3-[(Z)-2-cyano-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-enyl]phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [3-[(Z)-2-cyano-3-keto-3-(tetrahydrofurfurylamino)prop-1-enyl]phenyl] ester Formula: C23H22N2O4 MolecularWeight: 390.43178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=CC=CC(=C2)C=C(C#N)C(=O)NCC3CCCO3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=CC=CC(=C2)/C=C(/C#N)\C(=O)NCC3CCCO3

InChI

InChI=1S/C23H22N2O4/c1-16-5-2-7-18(11-16)23(27)29-20-8-3-6-17(13-20)12-19(14-24)22(26)25-15-21-9-4-10-28-21/h2-3,5-8,11-13,21H,4,9-10,15H2,1H3,(H,25,26)/b19-12-