5-[[(2S)-2-ethylhexanoyl]amino]-N-phenethyl-2-pyrrolidin-1-yl-benzamide

Systemtic Name: 5-[[(2S)-2-ethylhexanoyl]amino]-N-phenethyl-2-pyrrolidin-1-yl-benzamide Openeye Name: 5-[[(2S)-2-ethylhexanoyl]amino]-N-phenethyl-2-pyrrolidin-1-yl-benzamide CAS Name: 5-[[(2S)-2-ethyl-1-oxohexyl]amino]-N-phenethyl-2-(1-pyrrolidinyl)benzamide IUPAC Name: 5-[[(2S)-2-ethylhexanoyl]amino]-N-phenethyl-2-pyrrolidin-1-ylbenzamide Traditional Name: 5-[[(2S)-2-ethylhexanoyl]amino]-N-phenethyl-2-pyrrolidino-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)N2CCCC2)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CCCC[C@H](CC)C(=O)NC1=CC(=C(C=C1)N2CCCC2)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C27H37N3O2/c1-3-5-13-22(4-2)26(31)29-23-14-15-25(30-18-9-10-19-30)24(20-23)27(32)28-17-16-21-11-7-6-8-12-21/h6-8,11-12,14-15,20,22H,3-5,9-10,13,16-19H2,1-2H3,(H,28,32)(H,29,31)/t22-/m0/s1