2-[1-tert-butyl-7-[(4-cyanophenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanoic acid

Systemtic Name: 2-[1-tert-butyl-7-[(4-cyanophenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanoic acid Openeye Name: 2-[1-tert-butyl-7-[(4-cyanophenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid CAS Name: 2-[1-tert-butyl-7-[(4-cyanoanilino)-oxomethyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid IUPAC Name: 2-[1-tert-butyl-7-[(4-cyanophenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid Traditional Name: 2-[1-tert-butyl-7-[(4-cyanophenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1C2=C(CCN1CC(=O)O)C=CC(=C2)C(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(C)C1C2=C(CCN1CC(=O)O)C=CC(=C2)C(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H25N3O3/c1-23(2,3)21-19-12-17(7-6-16(19)10-11-26(21)14-20(27)28)22(29)25-18-8-4-15(13-24)5-9-18/h4-9,12,21H,10-11,14H2,1-3H3,(H,25,29)(H,27,28)