(3S)-N-[2,6-di(propan-2-yl)phenyl]-2-octanoyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-N-[2,6-di(propan-2-yl)phenyl]-2-octanoyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-(2,6-diisopropylphenyl)-2-octanoyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-N-[2,6-di(propan-2-yl)phenyl]-2-(1-oxooctyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-[2,6-di(propan-2-yl)phenyl]-2-octanoyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-caprylyl-N-(2,6-diisopropylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C30H42N2O2 MolecularWeight: 462.66668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=C(C=CC=C3C(C)C)C(C)C

Isomeric SMILES

CCCCCCCC(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NC3=C(C=CC=C3C(C)C)C(C)C

InChI

InChI=1S/C30H42N2O2/c1-6-7-8-9-10-18-28(33)32-20-24-15-12-11-14-23(24)19-27(32)30(34)31-29-25(21(2)3)16-13-17-26(29)22(4)5/h11-17,21-22,27H,6-10,18-20H2,1-5H3,(H,31,34)/t27-/m0/s1