(4-propan-2-ylphenyl) 4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoate

Systemtic Name: (4-propan-2-ylphenyl) 4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoate Openeye Name: (4-isopropylphenyl) 4-[5-methyl-2-(2-pyridyl)-1H-indol-3-yl]butanoate CAS Name: 4-[5-methyl-2-(2-pyridinyl)-1H-indol-3-yl]butanoic acid (4-propan-2-ylphenyl) ester IUPAC Name: (4-propan-2-ylphenyl) 4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoate Traditional Name: 4-[5-methyl-2-(2-pyridyl)-1H-indol-3-yl]butyric acid p-cumenyl ester Formula: C27H28N2O2 MolecularWeight: 412.52342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2CCCC(=O)OC3=CC=C(C=C3)C(C)C)C4=CC=CC=N4

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2CCCC(=O)OC3=CC=C(C=C3)C(C)C)C4=CC=CC=N4

InChI

InChI=1S/C27H28N2O2/c1-18(2)20-11-13-21(14-12-20)31-26(30)9-6-7-22-23-17-19(3)10-15-24(23)29-27(22)25-8-4-5-16-28-25/h4-5,8,10-18,29H,6-7,9H2,1-3H3