phenacyl 4-[[5-[(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl]oxy-5-oxidanylidene-pentanoyl]amino]benzoate

Systemtic Name: phenacyl 4-[[5-[(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl]oxy-5-oxidanylidene-pentanoyl]amino]benzoate Openeye Name: phenacyl 4-[[5-[(1S)-1-methyl-2-oxo-2-(p-tolyl)ethoxy]-5-oxo-pentanoyl]amino]benzoate CAS Name: 4-[[5-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]oxy-1,5-dioxopentyl]amino]benzoic acid phenacyl ester IUPAC Name: phenacyl 4-[[5-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]oxy-5-oxopentanoyl]amino]benzoate Traditional Name: 4-[[5-keto-5-[(1S)-2-keto-1-methyl-2-(p-tolyl)ethoxy]pentanoyl]amino]benzoic acid phenacyl ester Formula: C30H29NO7 MolecularWeight: 515.55376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)CCCC(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)CCCC(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C30H29NO7/c1-20-11-13-23(14-12-20)29(35)21(2)38-28(34)10-6-9-27(33)31-25-17-15-24(16-18-25)30(36)37-19-26(32)22-7-4-3-5-8-22/h3-5,7-8,11-18,21H,6,9-10,19H2,1-2H3,(H,31,33)/t21-/m0/s1