ethanoic acid; 2-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]ethanoic acid

Systemtic Name: ethanoic acid; 2-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]ethanoic acid Openeye Name: acetic acid; 2-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]acetic acid CAS Name: acetic acid; 2-[3-(1-pyrrolidinylmethyl)-1-indolyl]acetic acid IUPAC Name: acetic acid; 2-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]acetic acid Traditional Name: acetic acid; 2-[3-(pyrrolidinomethyl)indol-1-yl]acetic acid Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1CCN(C1)CC2=CN(C3=CC=CC=C32)CC(=O)O

Isomeric SMILES

CC(=O)O.C1CCN(C1)CC2=CN(C3=CC=CC=C32)CC(=O)O

InChI

InChI=1S/C15H18N2O2.C2H4O2/c18-15(19)11-17-10-12(9-16-7-3-4-8-16)13-5-1-2-6-14(13)17;1-2(3)4/h1-2,5-6,10H,3-4,7-9,11H2,(H,18,19);1H3,(H,3,4)