[2-(4-cyclopentylphenyl)-2-oxidanylidene-ethyl]-(phenylmethyl)-propan-2-yl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: [2-(4-cyclopentylphenyl)-2-oxidanylidene-ethyl]-(phenylmethyl)-propan-2-yl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: benzyl-[2-(4-cyclopentylphenyl)-2-oxo-ethyl]-isopropyl-ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: [2-(4-cyclopentylphenyl)-2-oxoethyl]-(phenylmethyl)-propan-2-ylammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: benzyl-[2-(4-cyclopentylphenyl)-2-oxoethyl]-propan-2-ylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: benzyl-[2-(4-cyclopentylphenyl)-2-keto-ethyl]-isopropyl-ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C27H33NO5 MolecularWeight: 451.55462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC1=CC=CC=C1)CC(=O)C2=CC=C(C=C2)C3CCCC3.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CC(C)[NH+](CC1=CC=CC=C1)CC(=O)C2=CC=C(C=C2)C3CCCC3.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C23H29NO.C4H4O4/c1-18(2)24(16-19-8-4-3-5-9-19)17-23(25)22-14-12-21(13-15-22)20-10-6-7-11-20;5-3(6)1-2-4(7)8/h3-5,8-9,12-15,18,20H,6-7,10-11,16-17H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-