2-[2-[4-[1-(furan-3-ylmethyl)indol-3-yl]piperidin-1-yl]ethoxy]-4-methoxy-benzoic acid

Systemtic Name: 2-[2-[4-[1-(furan-3-ylmethyl)indol-3-yl]piperidin-1-yl]ethoxy]-4-methoxy-benzoic acid Openeye Name: 2-[2-[4-[1-(3-furylmethyl)indol-3-yl]-1-piperidyl]ethoxy]-4-methoxy-benzoic acid CAS Name: 2-[2-[4-[1-(3-furanylmethyl)-3-indolyl]-1-piperidinyl]ethoxy]-4-methoxybenzoic acid IUPAC Name: 2-[2-[4-[1-(furan-3-ylmethyl)indol-3-yl]piperidin-1-yl]ethoxy]-4-methoxybenzoic acid Traditional Name: 2-[2-[4-[1-(3-furfuryl)indol-3-yl]piperidino]ethoxy]-4-methoxy-benzoic acid Formula: C28H30N2O5 MolecularWeight: 474.5482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)O)OCCN2CCC(CC2)C3=CN(C4=CC=CC=C43)CC5=COC=C5

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)O)OCCN2CCC(CC2)C3=CN(C4=CC=CC=C43)CC5=COC=C5

InChI

InChI=1S/C28H30N2O5/c1-33-22-6-7-24(28(31)32)27(16-22)35-15-13-29-11-8-21(9-12-29)25-18-30(17-20-10-14-34-19-20)26-5-3-2-4-23(25)26/h2-7,10,14,16,18-19,21H,8-9,11-13,15,17H2,1H3,(H,31,32)