ethyl 4-[[2-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methylamino]-2-oxidanylidene-ethanoyl]amino]benzoate

Systemtic Name: ethyl 4-[[2-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methylamino]-2-oxidanylidene-ethanoyl]amino]benzoate Openeye Name: ethyl 4-[[2-[[(1R)-isochroman-1-yl]methylamino]-2-oxo-acetyl]amino]benzoate CAS Name: 4-[[2-[[(1R)-3,4-dihydro-1H-2-benzopyran-1-yl]methylamino]-1,2-dioxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methylamino]-2-oxoacetyl]amino]benzoate Traditional Name: 4-[[2-[[(1R)-isochroman-1-yl]methylamino]-2-keto-acetyl]amino]benzoic acid ethyl ester Formula: C21H22N2O5 MolecularWeight: 382.40978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCC2C3=CC=CC=C3CCO2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NC[C@H]2C3=CC=CC=C3CCO2

InChI

InChI=1S/C21H22N2O5/c1-2-27-21(26)15-7-9-16(10-8-15)23-20(25)19(24)22-13-18-17-6-4-3-5-14(17)11-12-28-18/h3-10,18H,2,11-13H2,1H3,(H,22,24)(H,23,25)/t18-/m0/s1