(2S)-2-acetamido-N-[1-(4-ethoxyphenyl)carbonylpiperidin-4-yl]-3-methyl-butanamide

Systemtic Name: (2S)-2-acetamido-N-[1-(4-ethoxyphenyl)carbonylpiperidin-4-yl]-3-methyl-butanamide Openeye Name: (2S)-2-acetamido-N-[1-(4-ethoxybenzoyl)-4-piperidyl]-3-methyl-butanamide CAS Name: (2S)-2-acetamido-N-[1-[(4-ethoxyphenyl)-oxomethyl]-4-piperidinyl]-3-methylbutanamide IUPAC Name: (2S)-2-acetamido-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-methylbutanamide Traditional Name: (2S)-2-acetamido-N-[1-(4-ethoxybenzoyl)-4-piperidyl]-3-methyl-butyramide Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)N2CCC(CC2)NC(=O)C(C(C)C)NC(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N2CCC(CC2)NC(=O)[C@H](C(C)C)NC(=O)C

InChI

InChI=1S/C21H31N3O4/c1-5-28-18-8-6-16(7-9-18)21(27)24-12-10-17(11-13-24)23-20(26)19(14(2)3)22-15(4)25/h6-9,14,17,19H,5,10-13H2,1-4H3,(H,22,25)(H,23,26)/t19-/m0/s1