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

Systemtic Name: 5-[[(2S)-2-ethylhexanoyl]amino]-N-[(1R)-1-phenylethyl]-2-pyrrolidin-1-yl-benzamide Openeye Name: 5-[[(2S)-2-ethylhexanoyl]amino]-N-[(1R)-1-phenylethyl]-2-pyrrolidin-1-yl-benzamide CAS Name: 5-[[(2S)-2-ethyl-1-oxohexyl]amino]-N-[(1R)-1-phenylethyl]-2-(1-pyrrolidinyl)benzamide IUPAC Name: 5-[[(2S)-2-ethylhexanoyl]amino]-N-[(1R)-1-phenylethyl]-2-pyrrolidin-1-ylbenzamide Traditional Name: 5-[[(2S)-2-ethylhexanoyl]amino]-N-[(1R)-1-phenylethyl]-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)NC(C)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C27H37N3O2/c1-4-6-12-21(5-2)26(31)29-23-15-16-25(30-17-10-11-18-30)24(19-23)27(32)28-20(3)22-13-8-7-9-14-22/h7-9,13-16,19-21H,4-6,10-12,17-18H2,1-3H3,(H,28,32)(H,29,31)/t20-,21+/m1/s1