4-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-cyclopropyl-1-(phenylmethyl)indol-5-yl]oxybutanoic acid

Systemtic Name: 4-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-cyclopropyl-1-(phenylmethyl)indol-5-yl]oxybutanoic acid Openeye Name: 4-[3-(2-amino-2-oxo-ethyl)-1-benzyl-2-cyclopropyl-indol-5-yl]oxybutanoic acid CAS Name: 4-[[3-(2-amino-2-oxoethyl)-2-cyclopropyl-1-(phenylmethyl)-5-indolyl]oxy]butanoic acid IUPAC Name: 4-[3-(2-amino-2-oxoethyl)-1-benzyl-2-cyclopropylindol-5-yl]oxybutanoic acid Traditional Name: 4-[3-(2-amino-2-keto-ethyl)-1-benzyl-2-cyclopropyl-indol-5-yl]oxybutyric acid Formula: C24H26N2O4 MolecularWeight: 406.47424

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(C3=C(N2CC4=CC=CC=C4)C=CC(=C3)OCCCC(=O)O)CC(=O)N

Isomeric SMILES

C1CC1C2=C(C3=C(N2CC4=CC=CC=C4)C=CC(=C3)OCCCC(=O)O)CC(=O)N

InChI

InChI=1S/C24H26N2O4/c25-22(27)14-20-19-13-18(30-12-4-7-23(28)29)10-11-21(19)26(24(20)17-8-9-17)15-16-5-2-1-3-6-16/h1-3,5-6,10-11,13,17H,4,7-9,12,14-15H2,(H2,25,27)(H,28,29)