2-[[(E)-3-(3-cyanophenyl)prop-2-enoyl]amino]-2-methyl-pentanoic acid

Systemtic Name: 2-[[(E)-3-(3-cyanophenyl)prop-2-enoyl]amino]-2-methyl-pentanoic acid Openeye Name: 2-[[(E)-3-(3-cyanophenyl)prop-2-enoyl]amino]-2-methyl-pentanoic acid CAS Name: 2-[[(E)-3-(3-cyanophenyl)-1-oxoprop-2-enyl]amino]-2-methylpentanoic acid IUPAC Name: 2-[[(E)-3-(3-cyanophenyl)prop-2-enoyl]amino]-2-methylpentanoic acid Traditional Name: 2-[[(E)-3-(3-cyanophenyl)acryloyl]amino]-2-methyl-valeric acid Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)O)NC(=O)C=CC1=CC=CC(=C1)C#N

Isomeric SMILES

CCCC(C)(C(=O)O)NC(=O)/C=C/C1=CC=CC(=C1)C#N

InChI

InChI=1S/C16H18N2O3/c1-3-9-16(2,15(20)21)18-14(19)8-7-12-5-4-6-13(10-12)11-17/h4-8,10H,3,9H2,1-2H3,(H,18,19)(H,20,21)/b8-7+