dimethylamino 2-[(E)-octadec-9-enoyl]benzoate

Systemtic Name: dimethylamino 2-[(E)-octadec-9-enoyl]benzoate Openeye Name: dimethylamino 2-[(E)-octadec-9-enoyl]benzoate CAS Name: 2-[(E)-1-oxooctadec-9-enyl]benzoic acid dimethylamino ester IUPAC Name: dimethylamino 2-[(E)-octadec-9-enoyl]benzoate Traditional Name: 2-[(E)-octadec-9-enoyl]benzoic acid dimethylamino ester Formula: C27H43NO3 MolecularWeight: 429.63522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)C1=CC=CC=C1C(=O)ON(C)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)C1=CC=CC=C1C(=O)ON(C)C

InChI

InChI=1S/C27H43NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-26(29)24-21-19-20-22-25(24)27(30)31-28(2)3/h11-12,19-22H,4-10,13-18,23H2,1-3H3/b12-11+