4-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-ethyl-6-methyl-1-(phenylmethyl)-4-prop-2-enyl-indol-5-yl]oxybutanoic acid

Systemtic Name: 4-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-ethyl-6-methyl-1-(phenylmethyl)-4-prop-2-enyl-indol-5-yl]oxybutanoic acid Openeye Name: 4-[4-allyl-3-(2-amino-2-oxo-ethyl)-1-benzyl-2-ethyl-6-methyl-indol-5-yl]oxybutanoic acid CAS Name: 4-[[3-(2-amino-2-oxoethyl)-2-ethyl-6-methyl-1-(phenylmethyl)-4-prop-2-enyl-5-indolyl]oxy]butanoic acid IUPAC Name: 4-[3-(2-amino-2-oxoethyl)-1-benzyl-2-ethyl-6-methyl-4-prop-2-enylindol-5-yl]oxybutanoic acid Traditional Name: 4-[4-allyl-3-(2-amino-2-keto-ethyl)-1-benzyl-2-ethyl-6-methyl-indol-5-yl]oxybutyric acid Formula: C27H32N2O4 MolecularWeight: 448.55398

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=C(C(=C2CC=C)OCCCC(=O)O)C)CC(=O)N

Isomeric SMILES

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=C(C(=C2CC=C)OCCCC(=O)O)C)CC(=O)N

InChI

InChI=1S/C27H32N2O4/c1-4-10-20-26-21(16-24(28)30)22(5-2)29(17-19-11-7-6-8-12-19)23(26)15-18(3)27(20)33-14-9-13-25(31)32/h4,6-8,11-12,15H,1,5,9-10,13-14,16-17H2,2-3H3,(H2,28,30)(H,31,32)