[3-(3-methoxyphenyl)isoquinolin-4-yl]methyl 4-tert-butylbenzoate

Systemtic Name: [3-(3-methoxyphenyl)isoquinolin-4-yl]methyl 4-tert-butylbenzoate Openeye Name: [3-(3-methoxyphenyl)-4-isoquinolyl]methyl 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [3-(3-methoxyphenyl)-4-isoquinolinyl]methyl ester IUPAC Name: [3-(3-methoxyphenyl)isoquinolin-4-yl]methyl 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [3-(3-methoxyphenyl)-4-isoquinolyl]methyl ester Formula: C28H27NO3 MolecularWeight: 425.51888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OCC2=C(N=CC3=CC=CC=C32)C4=CC(=CC=C4)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OCC2=C(N=CC3=CC=CC=C32)C4=CC(=CC=C4)OC

InChI

InChI=1S/C28H27NO3/c1-28(2,3)22-14-12-19(13-15-22)27(30)32-18-25-24-11-6-5-8-21(24)17-29-26(25)20-9-7-10-23(16-20)31-4/h5-17H,18H2,1-4H3