2-[5-(3,3-dimethylbutanoylamino)-2-(phenylcarbamoyl)indol-1-yl]ethanoic acid

Systemtic Name: 2-[5-(3,3-dimethylbutanoylamino)-2-(phenylcarbamoyl)indol-1-yl]ethanoic acid Openeye Name: 2-[5-(3,3-dimethylbutanoylamino)-2-(phenylcarbamoyl)indol-1-yl]acetic acid CAS Name: 2-[2-[anilino(oxo)methyl]-5-[(3,3-dimethyl-1-oxobutyl)amino]-1-indolyl]acetic acid IUPAC Name: 2-[5-(3,3-dimethylbutanoylamino)-2-(phenylcarbamoyl)indol-1-yl]acetic acid Traditional Name: 2-[5-(3,3-dimethylbutanoylamino)-2-(phenylcarbamoyl)indol-1-yl]acetic acid Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=CC2=C(C=C1)N(C(=C2)C(=O)NC3=CC=CC=C3)CC(=O)O

Isomeric SMILES

CC(C)(C)CC(=O)NC1=CC2=C(C=C1)N(C(=C2)C(=O)NC3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C23H25N3O4/c1-23(2,3)13-20(27)24-17-9-10-18-15(11-17)12-19(26(18)14-21(28)29)22(30)25-16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3,(H,24,27)(H,25,30)(H,28,29)