4-[(E)-3-[(2,2-dimethylcyclopentyl)methylamino]-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-3-[(2,2-dimethylcyclopentyl)methylamino]-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-[(2,2-dimethylcyclopentyl)methylamino]-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-3-[(2,2-dimethylcyclopentyl)methylamino]-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-3-[(2,2-dimethylcyclopentyl)methylamino]-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-[(2,2-dimethylcyclopentyl)methylamino]-3-keto-prop-1-enyl]benzoic acid Formula: C18H23NO3 MolecularWeight: 301.38012

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC1CNC(=O)C=CC2=CC=C(C=C2)C(=O)O)C

Isomeric SMILES

CC1(CCCC1CNC(=O)/C=C/C2=CC=C(C=C2)C(=O)O)C

InChI

InChI=1S/C18H23NO3/c1-18(2)11-3-4-15(18)12-19-16(20)10-7-13-5-8-14(9-6-13)17(21)22/h5-10,15H,3-4,11-12H2,1-2H3,(H,19,20)(H,21,22)/b10-7+