(E)-3-phenylprop-2-enoic acid; 2-phenyl-2-pyrrolidin-1-yl-ethanol; hydrochloride

Systemtic Name: (E)-3-phenylprop-2-enoic acid; 2-phenyl-2-pyrrolidin-1-yl-ethanol; hydrochloride Openeye Name: (E)-3-phenylprop-2-enoic acid; 2-phenyl-2-pyrrolidin-1-yl-ethanol; hydrochloride CAS Name: (E)-3-phenyl-2-propenoic acid; 2-phenyl-2-(1-pyrrolidinyl)ethanol; hydrochloride IUPAC Name: (E)-3-phenylprop-2-enoic acid; 2-phenyl-2-pyrrolidin-1-ylethanol; hydrochloride Traditional Name: (E)-3-phenylacrylic acid; 2-phenyl-2-pyrrolidino-ethanol; hydrochloride Formula: C21H26ClNO3 MolecularWeight: 375.88904

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CO)C2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)O.Cl

Isomeric SMILES

C1CCN(C1)C(CO)C2=CC=CC=C2.C1=CC=C(C=C1)/C=C/C(=O)O.Cl

InChI

InChI=1S/C12H17NO.C9H8O2.ClH/c14-10-12(13-8-4-5-9-13)11-6-2-1-3-7-11;10-9(11)7-6-8-4-2-1-3-5-8;/h1-3,6-7,12,14H,4-5,8-10H2;1-7H,(H,10,11);1H/b;7-6+;