2-(1-propan-2-ylpiperidin-4-ylidene)ethanoic acid hydrate

Systemtic Name: 2-(1-propan-2-ylpiperidin-4-ylidene)ethanoic acid hydrate Openeye Name: 2-(1-isopropyl-4-piperidylidene)acetic acid hydrate CAS Name: 2-(1-propan-2-yl-4-piperidinylidene)acetic acid hydrate IUPAC Name: 2-(1-propan-2-ylpiperidin-4-ylidene)acetic acid hydrate Traditional Name: 2-(1-isopropyl-4-piperidylidene)acetic acid hydrate Formula: C10H19NO3 MolecularWeight: 201.26276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(=CC(=O)O)CC1.O

Isomeric SMILES

CC(C)N1CCC(=CC(=O)O)CC1.O

InChI

InChI=1S/C10H17NO2.H2O/c1-8(2)11-5-3-9(4-6-11)7-10(12)13;/h7-8H,3-6H2,1-2H3,(H,12,13);1H2