1-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-(3-cyanoanilino)-2-oxo-ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-(3-cyanoanilino)-2-oxoethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-(3-cyanoanilino)-2-oxoethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-(3-cyanoanilino)-2-keto-ethyl]cycloheptanecarboxylic acid Formula: C17H20N2O3 MolecularWeight: 300.3523

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(CC(=O)NC2=CC=CC(=C2)C#N)C(=O)O

Isomeric SMILES

C1CCCC(CC1)(CC(=O)NC2=CC=CC(=C2)C#N)C(=O)O

InChI

InChI=1S/C17H20N2O3/c18-12-13-6-5-7-14(10-13)19-15(20)11-17(16(21)22)8-3-1-2-4-9-17/h5-7,10H,1-4,8-9,11H2,(H,19,20)(H,21,22)