[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-(3,4-dipropoxyphenyl)carbonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-(3,4-dipropoxyphenyl)carbonylbenzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(3,4-dipropoxybenzoyl)benzoate CAS Name: 2-[(3,4-dipropoxyphenyl)-oxomethyl]benzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(3,4-dipropoxybenzoyl)benzoate Traditional Name: 2-(3,4-dipropoxybenzoyl)benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C25H27NO6 MolecularWeight: 437.48498

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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)NCC#C)OCCC

Isomeric SMILES

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

InChI

InChI=1S/C25H27NO6/c1-4-13-26-23(27)17-32-25(29)20-10-8-7-9-19(20)24(28)18-11-12-21(30-14-5-2)22(16-18)31-15-6-3/h1,7-12,16H,5-6,13-15,17H2,2-3H3,(H,26,27)