5-[2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]-2-methyl-1H-indole-3-carboxylic acid

Systemtic Name: 5-[2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]-2-methyl-1H-indole-3-carboxylic acid Openeye Name: 5-[2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]-2-methyl-1H-indole-3-carboxylic acid CAS Name: 5-[2-[(3S)-3-(hydroxymethyl)-1-pyrrolidinyl]ethoxy]-2-methyl-1H-indole-3-carboxylic acid IUPAC Name: 5-[2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]-2-methyl-1H-indole-3-carboxylic acid Traditional Name: 2-methyl-5-[2-[(3S)-3-methylolpyrrolidino]ethoxy]-1H-indole-3-carboxylic acid Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C=CC(=C2)OCCN3CCC(C3)CO)C(=O)O

Isomeric SMILES

CC1=C(C2=C(N1)C=CC(=C2)OCCN3CC[C@@H](C3)CO)C(=O)O

InChI

InChI=1S/C17H22N2O4/c1-11-16(17(21)22)14-8-13(2-3-15(14)18-11)23-7-6-19-5-4-12(9-19)10-20/h2-3,8,12,18,20H,4-7,9-10H2,1H3,(H,21,22)/t12-/m0/s1