(3S)-N-cyclopentyl-2-[(4-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-N-cyclopentyl-2-[(4-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-cyclopentyl-2-[(4-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-N-cyclopentyl-2-[(4-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-cyclopentyl-2-[(4-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-cyclopentyl-2-(4-hydroxybenzyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H26N2O2 MolecularWeight: 350.45404

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2CC3=CC=CC=C3CN2CC4=CC=C(C=C4)O

Isomeric SMILES

C1CCC(C1)NC(=O)[C@@H]2CC3=CC=CC=C3CN2CC4=CC=C(C=C4)O

InChI

InChI=1S/C22H26N2O2/c25-20-11-9-16(10-12-20)14-24-15-18-6-2-1-5-17(18)13-21(24)22(26)23-19-7-3-4-8-19/h1-2,5-6,9-12,19,21,25H,3-4,7-8,13-15H2,(H,23,26)/t21-/m0/s1