[2-[[(2S)-heptan-2-yl]amino]-2-oxidanylidene-ethyl] 2-(4-methylphenyl)carbonylbenzoate

Systemtic Name: [2-[[(2S)-heptan-2-yl]amino]-2-oxidanylidene-ethyl] 2-(4-methylphenyl)carbonylbenzoate Openeye Name: [2-[[(1S)-1-methylhexyl]amino]-2-oxo-ethyl] 2-(4-methylbenzoyl)benzoate CAS Name: 2-[(4-methylphenyl)-oxomethyl]benzoic acid [2-[[(2S)-heptan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-heptan-2-yl]amino]-2-oxoethyl] 2-(4-methylbenzoyl)benzoate Traditional Name: 2-p-toluoylbenzoic acid [2-keto-2-[[(1S)-1-methylhexyl]amino]ethyl] ester Formula: C24H29NO4 MolecularWeight: 395.49136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)COC(=O)C1=CC=CC=C1C(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCC[C@H](C)NC(=O)COC(=O)C1=CC=CC=C1C(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C24H29NO4/c1-4-5-6-9-18(3)25-22(26)16-29-24(28)21-11-8-7-10-20(21)23(27)19-14-12-17(2)13-15-19/h7-8,10-15,18H,4-6,9,16H2,1-3H3,(H,25,26)/t18-/m0/s1