3-oxidanylidenepentadecan-2-yl 3-[(2-chloranyl-3-oxidanylidene-3-phenyl-propanoyl)amino]benzoate

Systemtic Name: 3-oxidanylidenepentadecan-2-yl 3-[(2-chloranyl-3-oxidanylidene-3-phenyl-propanoyl)amino]benzoate Openeye Name: (1-methyl-2-oxo-tetradecyl) 3-[(2-chloro-3-oxo-3-phenyl-propanoyl)amino]benzoate CAS Name: 3-[(2-chloro-1,3-dioxo-3-phenylpropyl)amino]benzoic acid 3-oxopentadecan-2-yl ester IUPAC Name: 3-oxopentadecan-2-yl 3-[(2-chloro-3-oxo-3-phenylpropanoyl)amino]benzoate Traditional Name: 3-[(2-chloro-3-keto-3-phenyl-propanoyl)amino]benzoic acid (2-keto-1-methyl-tetradecyl) ester Formula: C31H40ClNO5 MolecularWeight: 542.106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=O)C(C)OC(=O)C1=CC(=CC=C1)NC(=O)C(C(=O)C2=CC=CC=C2)Cl

Isomeric SMILES

CCCCCCCCCCCCC(=O)C(C)OC(=O)C1=CC(=CC=C1)NC(=O)C(C(=O)C2=CC=CC=C2)Cl

InChI

InChI=1S/C31H40ClNO5/c1-3-4-5-6-7-8-9-10-11-15-21-27(34)23(2)38-31(37)25-19-16-20-26(22-25)33-30(36)28(32)29(35)24-17-13-12-14-18-24/h12-14,16-20,22-23,28H,3-11,15,21H2,1-2H3,(H,33,36)