4-[[4-[di(propan-2-yl)carbamoyl]phenyl]-quinolin-8-yl-methylidene]piperidine-1-carboxylic acid

Systemtic Name: 4-[[4-[di(propan-2-yl)carbamoyl]phenyl]-quinolin-8-yl-methylidene]piperidine-1-carboxylic acid Openeye Name: 4-[[4-(diisopropylcarbamoyl)phenyl]-(8-quinolyl)methylene]piperidine-1-carboxylic acid CAS Name: 4-[[4-[[di(propan-2-yl)amino]-oxomethyl]phenyl]-(8-quinolinyl)methylidene]-1-piperidinecarboxylic acid IUPAC Name: 4-[[4-[di(propan-2-yl)carbamoyl]phenyl]-quinolin-8-ylmethylidene]piperidine-1-carboxylic acid Traditional Name: 4-[[4-(diisopropylcarbamoyl)phenyl]-(8-quinolyl)methylene]piperidine-1-carboxylic acid Formula: C29H33N3O3 MolecularWeight: 471.59062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)C1=CC=C(C=C1)C(=C2CCN(CC2)C(=O)O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC(C)N(C(C)C)C(=O)C1=CC=C(C=C1)C(=C2CCN(CC2)C(=O)O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C29H33N3O3/c1-19(2)32(20(3)4)28(33)24-12-10-21(11-13-24)26(22-14-17-31(18-15-22)29(34)35)25-9-5-7-23-8-6-16-30-27(23)25/h5-13,16,19-20H,14-15,17-18H2,1-4H3,(H,34,35)