methyl 3-[2-[1-(1-oxidanylidene-3,4-dihydro-2H-isoquinolin-7-yl)piperidin-2-yl]phenyl]propanoate

Systemtic Name: methyl 3-[2-[1-(1-oxidanylidene-3,4-dihydro-2H-isoquinolin-7-yl)piperidin-2-yl]phenyl]propanoate Openeye Name: methyl 3-[2-[1-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)-2-piperidyl]phenyl]propanoate CAS Name: 3-[2-[1-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)-2-piperidinyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[1-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)piperidin-2-yl]phenyl]propanoate Traditional Name: 3-[2-[1-(1-keto-3,4-dihydro-2H-isoquinolin-7-yl)-2-piperidyl]phenyl]propionic acid methyl ester Formula: C24H28N2O3 MolecularWeight: 392.49072

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=CC=C1C2CCCCN2C3=CC4=C(CCNC4=O)C=C3

Isomeric SMILES

COC(=O)CCC1=CC=CC=C1C2CCCCN2C3=CC4=C(CCNC4=O)C=C3

InChI

InChI=1S/C24H28N2O3/c1-29-23(27)12-10-17-6-2-3-7-20(17)22-8-4-5-15-26(22)19-11-9-18-13-14-25-24(28)21(18)16-19/h2-3,6-7,9,11,16,22H,4-5,8,10,12-15H2,1H3,(H,25,28)