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

Systemtic Name: 3-[3-(diethylaminomethyl)indol-1-yl]propanoic acid; ethanoic acid Openeye Name: acetic acid; 3-[3-(diethylaminomethyl)indol-1-yl]propanoic acid CAS Name: acetic acid; 3-[3-(diethylaminomethyl)-1-indolyl]propanoic acid IUPAC Name: acetic acid; 3-[3-(diethylaminomethyl)indol-1-yl]propanoic acid Traditional Name: acetic acid; 3-[3-(diethylaminomethyl)indol-1-yl]propionic acid Formula: C18H26N2O4 MolecularWeight: 334.41004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O2.C2H4O2/c1-3-17(4-2)11-13-12-18(10-9-16(19)20)15-8-6-5-7-14(13)15;1-2(3)4/h5-8,12H,3-4,9-11H2,1-2H3,(H,19,20);1H3,(H,3,4)