3-methylbutyl 2-[[(2E)-2-(phenylmethylidene)octylidene]amino]benzoate

Systemtic Name: 3-methylbutyl 2-[[(2E)-2-(phenylmethylidene)octylidene]amino]benzoate Openeye Name: isopentyl 2-[[(2E)-2-benzylideneoctylidene]amino]benzoate CAS Name: 2-[[(2E)-2-(phenylmethylene)octylidene]amino]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[[(2E)-2-benzylideneoctylidene]amino]benzoate Traditional Name: 2-[[(E)-2-hexyl-3-phenyl-prop-2-enylidene]amino]benzoic acid isoamyl ester Formula: C27H35NO2 MolecularWeight: 405.5723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=CC1=CC=CC=C1)C=NC2=CC=CC=C2C(=O)OCCC(C)C

Isomeric SMILES

CCCCCC/C(=C\C1=CC=CC=C1)/C=NC2=CC=CC=C2C(=O)OCCC(C)C

InChI

InChI=1S/C27H35NO2/c1-4-5-6-8-15-24(20-23-13-9-7-10-14-23)21-28-26-17-12-11-16-25(26)27(29)30-19-18-22(2)3/h7,9-14,16-17,20-22H,4-6,8,15,18-19H2,1-3H3/b24-20+,28-21?