methyl (3R)-2-[4-[4-(propan-2-yloxycarbonylamino)phenyl]phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[4-[4-(propan-2-yloxycarbonylamino)phenyl]phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[4-[4-(isopropoxycarbonylamino)phenyl]phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[4-[4-[[oxo(propan-2-yloxy)methyl]amino]phenyl]phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[4-[4-(propan-2-yloxycarbonylamino)phenyl]phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[4-[4-(isopropoxycarbonylamino)phenyl]phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)NC1=CC=C(C=C1)C2=CC=C(C=C2)N3CC4=CC=CC=C4CC3C(=O)OC

Isomeric SMILES

CC(C)OC(=O)NC1=CC=C(C=C1)C2=CC=C(C=C2)N3CC4=CC=CC=C4C[C@@H]3C(=O)OC

InChI

InChI=1S/C27H28N2O4/c1-18(2)33-27(31)28-23-12-8-19(9-13-23)20-10-14-24(15-11-20)29-17-22-7-5-4-6-21(22)16-25(29)26(30)32-3/h4-15,18,25H,16-17H2,1-3H3,(H,28,31)/t25-/m1/s1