2,4-bis(1-butyl-2-methyl-indol-3-yl)-4-oxidanylidene-butanoic acid

Systemtic Name: 2,4-bis(1-butyl-2-methyl-indol-3-yl)-4-oxidanylidene-butanoic acid Openeye Name: 2,4-bis(1-butyl-2-methyl-indol-3-yl)-4-oxo-butanoic acid CAS Name: 2,4-bis(1-butyl-2-methyl-3-indolyl)-4-oxobutanoic acid IUPAC Name: 2,4-bis(1-butyl-2-methylindol-3-yl)-4-oxobutanoic acid Traditional Name: 2,4-bis(1-butyl-2-methyl-indol-3-yl)-4-keto-butyric acid Formula: C30H36N2O3 MolecularWeight: 472.61844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=CC=CC=C21)C(CC(=O)C3=C(N(C4=CC=CC=C43)CCCC)C)C(=O)O)C

Isomeric SMILES

CCCCN1C(=C(C2=CC=CC=C21)C(CC(=O)C3=C(N(C4=CC=CC=C43)CCCC)C)C(=O)O)C

InChI

InChI=1S/C30H36N2O3/c1-5-7-17-31-20(3)28(22-13-9-11-15-25(22)31)24(30(34)35)19-27(33)29-21(4)32(18-8-6-2)26-16-12-10-14-23(26)29/h9-16,24H,5-8,17-19H2,1-4H3,(H,34,35)