methyl 4-[4-(2-piperidin-1-ylphenyl)heptyl]benzoate

Systemtic Name: methyl 4-[4-(2-piperidin-1-ylphenyl)heptyl]benzoate Openeye Name: methyl 4-[4-[2-(1-piperidyl)phenyl]heptyl]benzoate CAS Name: 4-[4-[2-(1-piperidinyl)phenyl]heptyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(2-piperidin-1-ylphenyl)heptyl]benzoate Traditional Name: 4-[4-(2-piperidinophenyl)heptyl]benzoic acid methyl ester Formula: C26H35NO2 MolecularWeight: 393.5616

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCCC1=CC=C(C=C1)C(=O)OC)C2=CC=CC=C2N3CCCCC3

Isomeric SMILES

CCCC(CCCC1=CC=C(C=C1)C(=O)OC)C2=CC=CC=C2N3CCCCC3

InChI

InChI=1S/C26H35NO2/c1-3-10-22(12-9-11-21-15-17-23(18-16-21)26(28)29-2)24-13-5-6-14-25(24)27-19-7-4-8-20-27/h5-6,13-18,22H,3-4,7-12,19-20H2,1-2H3