[4-[(E)-2-cyano-3-[(1-ethoxy-1-oxidanylidene-propan-2-yl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-heptoxybenzoate

Systemtic Name: [4-[(E)-2-cyano-3-[(1-ethoxy-1-oxidanylidene-propan-2-yl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-heptoxybenzoate Openeye Name: [4-[(E)-2-cyano-3-[(2-ethoxy-1-methyl-2-oxo-ethyl)amino]-3-oxo-prop-1-enyl]phenyl] 4-heptoxybenzoate CAS Name: 4-heptoxybenzoic acid [4-[(E)-2-cyano-3-[(1-ethoxy-1-oxopropan-2-yl)amino]-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-[(1-ethoxy-1-oxopropan-2-yl)amino]-3-oxoprop-1-enyl]phenyl] 4-heptoxybenzoate Traditional Name: 4-heptoxybenzoic acid [4-[(E)-2-cyano-3-[(2-ethoxy-2-keto-1-methyl-ethyl)amino]-3-keto-prop-1-enyl]phenyl] ester Formula: C29H34N2O6 MolecularWeight: 506.59006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NC(C)C(=O)OCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=C(\C#N)/C(=O)NC(C)C(=O)OCC

InChI

InChI=1S/C29H34N2O6/c1-4-6-7-8-9-18-36-25-16-12-23(13-17-25)29(34)37-26-14-10-22(11-15-26)19-24(20-30)27(32)31-21(3)28(33)35-5-2/h10-17,19,21H,4-9,18H2,1-3H3,(H,31,32)/b24-19+