[1-[(2-butan-2-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(3,4,5-trimethoxyphenyl)propanoate

Systemtic Name: [1-[(2-butan-2-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(3,4,5-trimethoxyphenyl)propanoate Openeye Name: [1-methyl-2-oxo-2-(2-sec-butylanilino)ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate CAS Name: 3-(3,4,5-trimethoxyphenyl)propanoic acid [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 3-(3,4,5-trimethoxyphenyl)propanoate Traditional Name: 3-(3,4,5-trimethoxyphenyl)propionic acid [2-keto-1-methyl-2-(2-sec-butylanilino)ethyl] ester Formula: C25H33NO6 MolecularWeight: 443.53262

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C25H33NO6/c1-7-16(2)19-10-8-9-11-20(19)26-25(28)17(3)32-23(27)13-12-18-14-21(29-4)24(31-6)22(15-18)30-5/h8-11,14-17H,7,12-13H2,1-6H3,(H,26,28)