2-[6-methoxy-2-(2-methyl-3-oxidanylidene-cyclopenten-1-yl)-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid

Systemtic Name: 2-[6-methoxy-2-(2-methyl-3-oxidanylidene-cyclopenten-1-yl)-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid Openeye Name: 2-[6-methoxy-2-(2-methyl-3-oxo-cyclopenten-1-yl)-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid CAS Name: 2-[6-methoxy-2-(2-methyl-3-oxo-1-cyclopentenyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid IUPAC Name: 2-[6-methoxy-2-(2-methyl-3-oxocyclopenten-1-yl)-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Traditional Name: 2-[2-(3-keto-2-methyl-cyclopenten-1-yl)-6-methoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CCC1=O)N2CCC3=C(C2CC(=O)O)C=CC(=C3)OC

Isomeric SMILES

CC1=C(CCC1=O)N2CCC3=C(C2CC(=O)O)C=CC(=C3)OC

InChI

InChI=1S/C18H21NO4/c1-11-15(5-6-17(11)20)19-8-7-12-9-13(23-2)3-4-14(12)16(19)10-18(21)22/h3-4,9,16H,5-8,10H2,1-2H3,(H,21,22)