2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[(2S)-2-ethylhexanoyl]amino]-N-propan-2-yl-benzamide

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[(2S)-2-ethylhexanoyl]amino]-N-propan-2-yl-benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[(2S)-2-ethylhexanoyl]amino]-N-isopropyl-benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[(2S)-2-ethyl-1-oxohexyl]amino]-N-propan-2-ylbenzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[(2S)-2-ethylhexanoyl]amino]-N-propan-2-ylbenzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[(2S)-2-ethylhexanoyl]amino]-N-isopropyl-benzamide Formula: C27H37N3O2 MolecularWeight: 435.60158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NC(C)C

Isomeric SMILES

CCCC[C@H](CC)C(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NC(C)C

InChI

InChI=1S/C27H37N3O2/c1-5-7-10-20(6-2)26(31)29-23-13-14-25(24(17-23)27(32)28-19(3)4)30-16-15-21-11-8-9-12-22(21)18-30/h8-9,11-14,17,19-20H,5-7,10,15-16,18H2,1-4H3,(H,28,32)(H,29,31)/t20-/m0/s1