2-[1-(4-butoxyphenyl)carbonyl-2-methyl-5-propan-2-yl-indol-3-yl]ethanoic acid

Systemtic Name: 2-[1-(4-butoxyphenyl)carbonyl-2-methyl-5-propan-2-yl-indol-3-yl]ethanoic acid Openeye Name: 2-[1-(4-butoxybenzoyl)-5-isopropyl-2-methyl-indol-3-yl]acetic acid CAS Name: 2-[1-[(4-butoxyphenyl)-oxomethyl]-2-methyl-5-propan-2-yl-3-indolyl]acetic acid IUPAC Name: 2-[1-(4-butoxybenzoyl)-2-methyl-5-propan-2-ylindol-3-yl]acetic acid Traditional Name: 2-[1-(4-butoxybenzoyl)-5-isopropyl-2-methyl-indol-3-yl]acetic acid Formula: C25H29NO4 MolecularWeight: 407.50206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2C(=C(C3=C2C=CC(=C3)C(C)C)CC(=O)O)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2C(=C(C3=C2C=CC(=C3)C(C)C)CC(=O)O)C

InChI

InChI=1S/C25H29NO4/c1-5-6-13-30-20-10-7-18(8-11-20)25(29)26-17(4)21(15-24(27)28)22-14-19(16(2)3)9-12-23(22)26/h7-12,14,16H,5-6,13,15H2,1-4H3,(H,27,28)