methyl 2-(2-methanoyl-3-phenylmethoxy-phenyl)-5-(2-methylpropylcarbamoyl)benzoate

Systemtic Name: methyl 2-(2-methanoyl-3-phenylmethoxy-phenyl)-5-(2-methylpropylcarbamoyl)benzoate Openeye Name: methyl 2-(3-benzyloxy-2-formyl-phenyl)-5-(isobutylcarbamoyl)benzoate CAS Name: 2-(2-formyl-3-phenylmethoxyphenyl)-5-[(2-methylpropylamino)-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-(2-formyl-3-phenylmethoxyphenyl)-5-(2-methylpropylcarbamoyl)benzoate Traditional Name: 2-(3-benzoxy-2-formyl-phenyl)-5-(isobutylcarbamoyl)benzoic acid methyl ester Formula: C27H27NO5 MolecularWeight: 445.50698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=C(C(=CC=C2)OCC3=CC=CC=C3)C=O)C(=O)OC

Isomeric SMILES

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=C(C(=CC=C2)OCC3=CC=CC=C3)C=O)C(=O)OC

InChI

InChI=1S/C27H27NO5/c1-18(2)15-28-26(30)20-12-13-22(23(14-20)27(31)32-3)21-10-7-11-25(24(21)16-29)33-17-19-8-5-4-6-9-19/h4-14,16,18H,15,17H2,1-3H3,(H,28,30)