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

Systemtic Name: 4-[1-(cyclopropylmethyl)indol-3-yl]-2-ethoxy-3-piperidin-1-yl-benzoic acid Openeye Name: 4-[1-(cyclopropylmethyl)indol-3-yl]-2-ethoxy-3-(1-piperidyl)benzoic acid CAS Name: 4-[1-(cyclopropylmethyl)-3-indolyl]-2-ethoxy-3-(1-piperidinyl)benzoic acid IUPAC Name: 4-[1-(cyclopropylmethyl)indol-3-yl]-2-ethoxy-3-piperidin-1-ylbenzoic acid Traditional Name: 4-[1-(cyclopropylmethyl)indol-3-yl]-2-ethoxy-3-piperidino-benzoic acid Formula: C26H30N2O3 MolecularWeight: 418.528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1N2CCCCC2)C3=CN(C4=CC=CC=C43)CC5CC5)C(=O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1N2CCCCC2)C3=CN(C4=CC=CC=C43)CC5CC5)C(=O)O

InChI

InChI=1S/C26H30N2O3/c1-2-31-25-21(26(29)30)13-12-20(24(25)27-14-6-3-7-15-27)22-17-28(16-18-10-11-18)23-9-5-4-8-19(22)23/h4-5,8-9,12-13,17-18H,2-3,6-7,10-11,14-16H2,1H3,(H,29,30)