2-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-1-prop-2-enyl-indol-4-yl]oxyethanoic acid

Systemtic Name: 2-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-1-prop-2-enyl-indol-4-yl]oxyethanoic acid Openeye Name: 2-[1-allyl-3-(2-amino-2-oxo-ethyl)-2-methyl-indol-4-yl]oxyacetic acid CAS Name: 2-[[3-(2-amino-2-oxoethyl)-2-methyl-1-prop-2-enyl-4-indolyl]oxy]acetic acid IUPAC Name: 2-[3-(2-amino-2-oxoethyl)-2-methyl-1-prop-2-enylindol-4-yl]oxyacetic acid Traditional Name: 2-[1-allyl-3-(2-amino-2-keto-ethyl)-2-methyl-indol-4-yl]oxyacetic acid Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC=C)C=CC=C2OCC(=O)O)CC(=O)N

Isomeric SMILES

CC1=C(C2=C(N1CC=C)C=CC=C2OCC(=O)O)CC(=O)N

InChI

InChI=1S/C16H18N2O4/c1-3-7-18-10(2)11(8-14(17)19)16-12(18)5-4-6-13(16)22-9-15(20)21/h3-6H,1,7-9H2,2H3,(H2,17,19)(H,20,21)