4-[1-(cyclopropylmethyl)indol-3-yl]-3-piperidin-1-yl-2-propoxy-benzoic acid

Systemtic Name: 4-[1-(cyclopropylmethyl)indol-3-yl]-3-piperidin-1-yl-2-propoxy-benzoic acid Openeye Name: 4-[1-(cyclopropylmethyl)indol-3-yl]-3-(1-piperidyl)-2-propoxy-benzoic acid CAS Name: 4-[1-(cyclopropylmethyl)-3-indolyl]-3-(1-piperidinyl)-2-propoxybenzoic acid IUPAC Name: 4-[1-(cyclopropylmethyl)indol-3-yl]-3-piperidin-1-yl-2-propoxybenzoic acid Traditional Name: 4-[1-(cyclopropylmethyl)indol-3-yl]-3-piperidino-2-propoxy-benzoic acid Formula: C27H32N2O3 MolecularWeight: 432.55458

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1N2CCCCC2)C3=CN(C4=CC=CC=C43)CC5CC5)C(=O)O

Isomeric SMILES

CCCOC1=C(C=CC(=C1N2CCCCC2)C3=CN(C4=CC=CC=C43)CC5CC5)C(=O)O

InChI

InChI=1S/C27H32N2O3/c1-2-16-32-26-22(27(30)31)13-12-21(25(26)28-14-6-3-7-15-28)23-18-29(17-19-10-11-19)24-9-5-4-8-20(23)24/h4-5,8-9,12-13,18-19H,2-3,6-7,10-11,14-17H2,1H3,(H,30,31)