ethyl 4-[1-oxidanylidene-2-(phenylmethyl)-3,4,7,8-tetrahydroisoquinolin-5-yl]benzoate

Systemtic Name: ethyl 4-[1-oxidanylidene-2-(phenylmethyl)-3,4,7,8-tetrahydroisoquinolin-5-yl]benzoate Openeye Name: ethyl 4-(2-benzyl-1-oxo-3,4,7,8-tetrahydroisoquinolin-5-yl)benzoate CAS Name: 4-[1-oxo-2-(phenylmethyl)-3,4,7,8-tetrahydroisoquinolin-5-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-(2-benzyl-1-oxo-3,4,7,8-tetrahydroisoquinolin-5-yl)benzoate Traditional Name: 4-(2-benzyl-1-keto-3,4,7,8-tetrahydroisoquinolin-5-yl)benzoic acid ethyl ester Formula: C25H25NO3 MolecularWeight: 387.4709

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CCCC3=C2CCN(C3=O)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CCCC3=C2CCN(C3=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H25NO3/c1-2-29-25(28)20-13-11-19(12-14-20)21-9-6-10-23-22(21)15-16-26(24(23)27)17-18-7-4-3-5-8-18/h3-5,7-9,11-14H,2,6,10,15-17H2,1H3