2-[3-(dimethylaminomethyl)-2-methyl-indol-1-yl]ethanoic acid; ethanoic acid

Systemtic Name: 2-[3-(dimethylaminomethyl)-2-methyl-indol-1-yl]ethanoic acid; ethanoic acid Openeye Name: acetic acid; 2-[3-(dimethylaminomethyl)-2-methyl-indol-1-yl]acetic acid CAS Name: acetic acid; 2-[3-(dimethylaminomethyl)-2-methyl-1-indolyl]acetic acid IUPAC Name: acetic acid; 2-[3-(dimethylaminomethyl)-2-methylindol-1-yl]acetic acid Traditional Name: acetic acid; 2-[3-(dimethylaminomethyl)-2-methyl-indol-1-yl]acetic acid Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1CC(=O)O)CN(C)C.CC(=O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1CC(=O)O)CN(C)C.CC(=O)O

InChI

InChI=1S/C14H18N2O2.C2H4O2/c1-10-12(8-15(2)3)11-6-4-5-7-13(11)16(10)9-14(17)18;1-2(3)4/h4-7H,8-9H2,1-3H3,(H,17,18);1H3,(H,3,4)