(7-quinolin-2-ylheptanoylamino) 2-[4-(2-methylpropyl)phenyl]propanoate

Systemtic Name: (7-quinolin-2-ylheptanoylamino) 2-[4-(2-methylpropyl)phenyl]propanoate Openeye Name: [7-(2-quinolyl)heptanoylamino] 2-(4-isobutylphenyl)propanoate CAS Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid [[1-oxo-7-(2-quinolinyl)heptyl]amino] ester IUPAC Name: (7-quinolin-2-ylheptanoylamino) 2-[4-(2-methylpropyl)phenyl]propanoate Traditional Name: 2-(4-isobutylphenyl)propionic acid [7-(2-quinolyl)heptanoylamino] ester Formula: C29H36N2O3 MolecularWeight: 460.60774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)C(=O)ONC(=O)CCCCCCC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)ONC(=O)CCCCCCC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C29H36N2O3/c1-21(2)20-23-14-16-24(17-15-23)22(3)29(33)34-31-28(32)13-7-5-4-6-11-26-19-18-25-10-8-9-12-27(25)30-26/h8-10,12,14-19,21-22H,4-7,11,13,20H2,1-3H3,(H,31,32)