methyl 2-(2-methylbutanoylamino)-4-[2-(2-phenylmethoxyphenyl)ethyl]benzoate

Systemtic Name: methyl 2-(2-methylbutanoylamino)-4-[2-(2-phenylmethoxyphenyl)ethyl]benzoate Openeye Name: methyl 4-[2-(2-benzyloxyphenyl)ethyl]-2-(2-methylbutanoylamino)benzoate CAS Name: 2-[(2-methyl-1-oxobutyl)amino]-4-[2-(2-phenylmethoxyphenyl)ethyl]benzoic acid methyl ester IUPAC Name: methyl 2-(2-methylbutanoylamino)-4-[2-(2-phenylmethoxyphenyl)ethyl]benzoate Traditional Name: 4-[2-(2-benzoxyphenyl)ethyl]-2-(2-methylbutanoylamino)benzoic acid methyl ester Formula: C28H31NO4 MolecularWeight: 445.55004

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)NC1=C(C=CC(=C1)CCC2=CC=CC=C2OCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCC(C)C(=O)NC1=C(C=CC(=C1)CCC2=CC=CC=C2OCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C28H31NO4/c1-4-20(2)27(30)29-25-18-21(15-17-24(25)28(31)32-3)14-16-23-12-8-9-13-26(23)33-19-22-10-6-5-7-11-22/h5-13,15,17-18,20H,4,14,16,19H2,1-3H3,(H,29,30)