[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxidanylidene-ethyl] 2,5-dimethylbenzoate

Systemtic Name: [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxidanylidene-ethyl] 2,5-dimethylbenzoate Openeye Name: [2-(chroman-4-ylamino)-2-oxo-ethyl] 2,5-dimethylbenzoate CAS Name: 2,5-dimethylbenzoic acid [2-(3,4-dihydro-2H-1-benzopyran-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 2,5-dimethylbenzoate Traditional Name: 2,5-dimethylbenzoic acid [2-(chroman-4-ylamino)-2-keto-ethyl] ester Formula: C20H21NO4 MolecularWeight: 339.38504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)OCC(=O)NC2CCOC3=CC=CC=C23

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)OCC(=O)NC2CCOC3=CC=CC=C23

InChI

InChI=1S/C20H21NO4/c1-13-7-8-14(2)16(11-13)20(23)25-12-19(22)21-17-9-10-24-18-6-4-3-5-15(17)18/h3-8,11,17H,9-10,12H2,1-2H3,(H,21,22)