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

Systemtic Name: 4-[3-(3-azanyl-3-oxidanylidene-propyl)-2-methyl-1-(phenylmethyl)indol-5-yl]oxybutanoic acid Openeye Name: 4-[3-(3-amino-3-oxo-propyl)-1-benzyl-2-methyl-indol-5-yl]oxybutanoic acid CAS Name: 4-[[3-(3-amino-3-oxopropyl)-2-methyl-1-(phenylmethyl)-5-indolyl]oxy]butanoic acid IUPAC Name: 4-[3-(3-amino-3-oxopropyl)-1-benzyl-2-methylindol-5-yl]oxybutanoic acid Traditional Name: 4-[3-(3-amino-3-keto-propyl)-1-benzyl-2-methyl-indol-5-yl]oxybutyric acid Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCCCC(=O)O)CCC(=O)N

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCCCC(=O)O)CCC(=O)N

InChI

InChI=1S/C23H26N2O4/c1-16-19(10-12-22(24)26)20-14-18(29-13-5-8-23(27)28)9-11-21(20)25(16)15-17-6-3-2-4-7-17/h2-4,6-7,9,11,14H,5,8,10,12-13,15H2,1H3,(H2,24,26)(H,27,28)