[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(phenoxymethyl)benzoate

Systemtic Name: [2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(phenoxymethyl)benzoate Openeye Name: [2-(2-isopropyl-6-methyl-anilino)-2-oxo-ethyl] 4-(phenoxymethyl)benzoate CAS Name: 4-(phenoxymethyl)benzoic acid [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 4-(phenoxymethyl)benzoate Traditional Name: 4-(phenoxymethyl)benzoic acid [2-(2-isopropyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C26H27NO4 MolecularWeight: 417.49688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)C2=CC=C(C=C2)COC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)C2=CC=C(C=C2)COC3=CC=CC=C3

InChI

InChI=1S/C26H27NO4/c1-18(2)23-11-7-8-19(3)25(23)27-24(28)17-31-26(29)21-14-12-20(13-15-21)16-30-22-9-5-4-6-10-22/h4-15,18H,16-17H2,1-3H3,(H,27,28)