(3-phenoxyphenyl)methyl 3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)butanoate

Systemtic Name: (3-phenoxyphenyl)methyl 3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)butanoate Openeye Name: (3-phenoxyphenyl)methyl 3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)butanoate CAS Name: 3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)butanoic acid (3-phenoxyphenyl)methyl ester IUPAC Name: (3-phenoxyphenyl)methyl 3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)butanoate Traditional Name: 3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)butyric acid (3-phenoxybenzyl) ester Formula: C27H29NO3 MolecularWeight: 415.52406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1C2=CC=CC=C2CCN1)C(=O)OCC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(C)C(C1C2=CC=CC=C2CCN1)C(=O)OCC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C27H29NO3/c1-19(2)25(26-24-14-7-6-10-21(24)15-16-28-26)27(29)30-18-20-9-8-13-23(17-20)31-22-11-4-3-5-12-22/h3-14,17,19,25-26,28H,15-16,18H2,1-2H3