(E)-4-[cyclopentyl-[(2-methylphenyl)methyl]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[cyclopentyl-[(2-methylphenyl)methyl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[cyclopentyl(o-tolylmethyl)amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[cyclopentyl-[(2-methylphenyl)methyl]amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[cyclopentyl-[(2-methylphenyl)methyl]amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[cyclopentyl-(2-methylbenzyl)amino]-4-keto-but-2-enoic acid Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(C2CCCC2)C(=O)C=CC(=O)O

Isomeric SMILES

CC1=CC=CC=C1CN(C2CCCC2)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C17H21NO3/c1-13-6-2-3-7-14(13)12-18(15-8-4-5-9-15)16(19)10-11-17(20)21/h2-3,6-7,10-11,15H,4-5,8-9,12H2,1H3,(H,20,21)/b11-10+