[4-[(E)-2-cyano-3-oxidanylidene-3-[(4-pentoxycarbonylphenyl)amino]prop-1-enyl]phenyl] 4-methylbenzoate

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-[(4-pentoxycarbonylphenyl)amino]prop-1-enyl]phenyl] 4-methylbenzoate Openeye Name: [4-[(E)-2-cyano-3-oxo-3-(4-pentoxycarbonylanilino)prop-1-enyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[(E)-2-cyano-3-oxo-3-[4-[oxo(pentoxy)methyl]anilino]prop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-(4-pentoxycarbonylanilino)prop-1-enyl]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[(E)-3-(4-amoxycarbonylanilino)-2-cyano-3-keto-prop-1-enyl]phenyl] ester Formula: C30H28N2O5 MolecularWeight: 496.55372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C)C#N

Isomeric SMILES

CCCCCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C)/C#N

InChI

InChI=1S/C30H28N2O5/c1-3-4-5-18-36-29(34)23-12-14-26(15-13-23)32-28(33)25(20-31)19-22-8-16-27(17-9-22)37-30(35)24-10-6-21(2)7-11-24/h6-17,19H,3-5,18H2,1-2H3,(H,32,33)/b25-19+