2-methylbutyl 4-[(4-decoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]benzoate

Systemtic Name: 2-methylbutyl 4-[(4-decoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]benzoate Openeye Name: 2-methylbutyl 4-[(4-decoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]benzoate CAS Name: 4-[(4-decoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]benzoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 4-[(4-decoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]benzoate Traditional Name: 4-[(4-decoxy-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]benzoic acid 2-methylbutyl ester Formula: C29H41NO4 MolecularWeight: 467.64014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC(=O)C(=CNC2=CC=C(C=C2)C(=O)OCC(C)CC)C=C1

Isomeric SMILES

CCCCCCCCCCOC1=CC(=O)C(=CNC2=CC=C(C=C2)C(=O)OCC(C)CC)C=C1

InChI

InChI=1S/C29H41NO4/c1-4-6-7-8-9-10-11-12-19-33-27-18-15-25(28(31)20-27)21-30-26-16-13-24(14-17-26)29(32)34-22-23(3)5-2/h13-18,20-21,23,30H,4-12,19,22H2,1-3H3