[2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 4-(3-methylbutoxy)benzoate

Systemtic Name: [2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 4-(3-methylbutoxy)benzoate Openeye Name: [2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)propyl] 4-isopentyloxybenzoate CAS Name: 4-(3-methylbutoxy)benzoic acid [2-oxo-3-(1,3,3-trimethyl-2-indolylidene)propyl] ester IUPAC Name: [2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 4-(3-methylbutoxy)benzoate Traditional Name: 4-isoamoxybenzoic acid [2-keto-3-(1,3,3-trimethylindolin-2-ylidene)propyl] ester Formula: C26H31NO4 MolecularWeight: 421.52864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(=O)OCC(=O)C=C2C(C3=CC=CC=C3N2C)(C)C

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=O)OCC(=O)C=C2C(C3=CC=CC=C3N2C)(C)C

InChI

InChI=1S/C26H31NO4/c1-18(2)14-15-30-21-12-10-19(11-13-21)25(29)31-17-20(28)16-24-26(3,4)22-8-6-7-9-23(22)27(24)5/h6-13,16,18H,14-15,17H2,1-5H3