[2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 2-(3,4-dipropoxyphenyl)carbonylbenzoate

Systemtic Name: [2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 2-(3,4-dipropoxyphenyl)carbonylbenzoate Openeye Name: [2-oxo-2-(sec-butylamino)ethyl] 2-(3,4-dipropoxybenzoyl)benzoate CAS Name: 2-[(3,4-dipropoxyphenyl)-oxomethyl]benzoic acid [2-(butan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(butan-2-ylamino)-2-oxoethyl] 2-(3,4-dipropoxybenzoyl)benzoate Traditional Name: 2-(3,4-dipropoxybenzoyl)benzoic acid [2-keto-2-(sec-butylamino)ethyl] ester Formula: C26H33NO6 MolecularWeight: 455.54332

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NC(C)CC)OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NC(C)CC)OCCC

InChI

InChI=1S/C26H33NO6/c1-5-14-31-22-13-12-19(16-23(22)32-15-6-2)25(29)20-10-8-9-11-21(20)26(30)33-17-24(28)27-18(4)7-3/h8-13,16,18H,5-7,14-15,17H2,1-4H3,(H,27,28)