[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-[(3-methylphenyl)methoxy]benzoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-[(3-methylphenyl)methoxy]benzoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 2-(m-tolylmethoxy)benzoate CAS Name: 2-[(3-methylphenyl)methoxy]benzoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 2-[(3-methylphenyl)methoxy]benzoate Traditional Name: 2-(3-methylbenzyl)oxybenzoic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC2=CC=CC=C2C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=CC(=CC=C1)COC2=CC=CC=C2C(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C21H20N2O4/c1-14-6-5-7-16(10-14)12-26-20-9-4-3-8-17(20)21(25)27-13-19(24)18(11-22)15(2)23/h3-10,18,23H,12-13H2,1-2H3/t18-/m1/s1