2-[2-(methoxycarbonylamino)-3-methyl-butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[2-(methoxycarbonylamino)-3-methyl-butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[2-(methoxycarbonylamino)-3-methyl-butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[2-(methoxycarbonylamino)-3-methyl-1-oxobutyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[2-(methoxycarbonylamino)-3-methylbutanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[2-(carbomethoxyamino)-3-methyl-butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C17H22N2O5 MolecularWeight: 334.36698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC2=CC=CC=C2CC1C(=O)O)NC(=O)OC

Isomeric SMILES

CC(C)C(C(=O)N1CC2=CC=CC=C2CC1C(=O)O)NC(=O)OC

InChI

InChI=1S/C17H22N2O5/c1-10(2)14(18-17(23)24-3)15(20)19-9-12-7-5-4-6-11(12)8-13(19)16(21)22/h4-7,10,13-14H,8-9H2,1-3H3,(H,18,23)(H,21,22)