5-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-1-(phenylmethyl)indol-5-yl]oxypentanoic acid

Systemtic Name: 5-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-1-(phenylmethyl)indol-5-yl]oxypentanoic acid Openeye Name: 5-[3-(2-amino-2-oxo-ethyl)-1-benzyl-2-methyl-indol-5-yl]oxypentanoic acid CAS Name: 5-[[3-(2-amino-2-oxoethyl)-2-methyl-1-(phenylmethyl)-5-indolyl]oxy]pentanoic acid IUPAC Name: 5-[3-(2-amino-2-oxoethyl)-1-benzyl-2-methylindol-5-yl]oxypentanoic acid Traditional Name: 5-[3-(2-amino-2-keto-ethyl)-1-benzyl-2-methyl-indol-5-yl]oxyvaleric 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)OCCCCC(=O)O)CC(=O)N

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCCCCC(=O)O)CC(=O)N

InChI

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