(1-methylazepan-2-yl)methanol; 2-phenylethanoic acid

Systemtic Name: (1-methylazepan-2-yl)methanol; 2-phenylethanoic acid Openeye Name: (1-methylazepan-2-yl)methanol; 2-phenylacetic acid CAS Name: (1-methyl-2-azepanyl)methanol; 2-phenylacetic acid IUPAC Name: (1-methylazepan-2-yl)methanol; 2-phenylacetic acid Traditional Name: (1-methylazepan-2-yl)methanol; 2-phenylacetic acid Formula: C24H33NO5 MolecularWeight: 415.52252

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCCC1CO.C1=CC=C(C=C1)CC(=O)O.C1=CC=C(C=C1)CC(=O)O

Isomeric SMILES

CN1CCCCCC1CO.C1=CC=C(C=C1)CC(=O)O.C1=CC=C(C=C1)CC(=O)O

InChI

InChI=1S/C8H17NO.2C8H8O2/c1-9-6-4-2-3-5-8(9)7-10;2*9-8(10)6-7-4-2-1-3-5-7/h8,10H,2-7H2,1H3;2*1-5H,6H2,(H,9,10)