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

Systemtic Name: [4-[(E)-3-[(4-butylphenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] 3-methylbenzoate Openeye Name: [4-[(E)-3-(4-butylanilino)-2-cyano-3-oxo-prop-1-enyl]-2-ethoxy-phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-[(E)-3-(4-butylanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-3-(4-butylanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-[(E)-3-(4-butylanilino)-2-cyano-3-keto-prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C30H30N2O4 MolecularWeight: 482.5702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2)OC(=O)C3=CC(=CC=C3)C)OCC)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC(=C(C=C2)OC(=O)C3=CC(=CC=C3)C)OCC)/C#N

InChI

InChI=1S/C30H30N2O4/c1-4-6-9-22-11-14-26(15-12-22)32-29(33)25(20-31)18-23-13-16-27(28(19-23)35-5-2)36-30(34)24-10-7-8-21(3)17-24/h7-8,10-19H,4-6,9H2,1-3H3,(H,32,33)/b25-18+