2-[2-[4-[1-(2-prop-2-ynoxyethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid

Systemtic Name: 2-[2-[4-[1-(2-prop-2-ynoxyethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid Openeye Name: 2-[2-[4-[1-(2-prop-2-ynoxyethyl)indol-3-yl]-1-piperidyl]ethoxy]benzoic acid CAS Name: 2-[2-[4-[1-(2-prop-2-ynoxyethyl)-3-indolyl]-1-piperidinyl]ethoxy]benzoic acid IUPAC Name: 2-[2-[4-[1-(2-prop-2-ynoxyethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid Traditional Name: 2-[2-[4-[1-(2-propargyloxyethyl)indol-3-yl]piperidino]ethoxy]benzoic acid Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOCCN1C=C(C2=CC=CC=C21)C3CCN(CC3)CCOC4=CC=CC=C4C(=O)O

Isomeric SMILES

C#CCOCCN1C=C(C2=CC=CC=C21)C3CCN(CC3)CCOC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C27H30N2O4/c1-2-17-32-18-16-29-20-24(22-7-3-5-9-25(22)29)21-11-13-28(14-12-21)15-19-33-26-10-6-4-8-23(26)27(30)31/h1,3-10,20-21H,11-19H2,(H,30,31)