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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CN(C)CC1=CN(C2=CC=CC=C21)CCC(=O)O

Isomeric SMILES

CC(=O)O.CN(C)CC1=CN(C2=CC=CC=C21)CCC(=O)O

InChI

InChI=1S/C14H18N2O2.C2H4O2/c1-15(2)9-11-10-16(8-7-14(17)18)13-6-4-3-5-12(11)13;1-2(3)4/h3-6,10H,7-9H2,1-2H3,(H,17,18);1H3,(H,3,4)