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

Systemtic Name: 4-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-1-(phenylmethyl)indol-5-yl]butanoic acid Openeye Name: 4-[3-(2-amino-2-oxo-ethyl)-1-benzyl-2-methyl-indol-5-yl]butanoic acid CAS Name: 4-[3-(2-amino-2-oxoethyl)-2-methyl-1-(phenylmethyl)-5-indolyl]butanoic acid IUPAC Name: 4-[3-(2-amino-2-oxoethyl)-1-benzyl-2-methylindol-5-yl]butanoic acid Traditional Name: 4-[3-(2-amino-2-keto-ethyl)-1-benzyl-2-methyl-indol-5-yl]butyric acid Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O3/c1-15-18(13-21(23)25)19-12-16(8-5-9-22(26)27)10-11-20(19)24(15)14-17-6-3-2-4-7-17/h2-4,6-7,10-12H,5,8-9,13-14H2,1H3,(H2,23,25)(H,26,27)