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

Systemtic Name: 3-[3-(dimethylaminomethyl)-2-methyl-indol-1-yl]propanoic acid; ethanoic acid Openeye Name: acetic acid; 3-[3-(dimethylaminomethyl)-2-methyl-indol-1-yl]propanoic acid CAS Name: acetic acid; 3-[3-(dimethylaminomethyl)-2-methyl-1-indolyl]propanoic acid IUPAC Name: acetic acid; 3-[3-(dimethylaminomethyl)-2-methylindol-1-yl]propanoic acid Traditional Name: acetic acid; 3-[3-(dimethylaminomethyl)-2-methyl-indol-1-yl]propionic acid Formula: C17H24N2O4 MolecularWeight: 320.38346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1CCC(=O)O)CN(C)C.CC(=O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1CCC(=O)O)CN(C)C.CC(=O)O

InChI

InChI=1S/C15H20N2O2.C2H4O2/c1-11-13(10-16(2)3)12-6-4-5-7-14(12)17(11)9-8-15(18)19;1-2(3)4/h4-7H,8-10H2,1-3H3,(H,18,19);1H3,(H,3,4)