[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxidanylidene-ethyl] 4-propan-2-ylbenzoate

Systemtic Name: [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxidanylidene-ethyl] 4-propan-2-ylbenzoate Openeye Name: [2-(chroman-4-ylamino)-2-oxo-ethyl] 4-isopropylbenzoate CAS Name: 4-propan-2-ylbenzoic 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] 4-propan-2-ylbenzoate Traditional Name: 4-isopropylbenzoic acid [2-(chroman-4-ylamino)-2-keto-ethyl] ester Formula: C21H23NO4 MolecularWeight: 353.41162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO4/c1-14(2)15-7-9-16(10-8-15)21(24)26-13-20(23)22-18-11-12-25-19-6-4-3-5-17(18)19/h3-10,14,18H,11-13H2,1-2H3,(H,22,23)