methyl 2-[4-[4-[[(phenylmethyl)amino]-piperidin-4-yl-methyl]piperidin-1-yl]phenoxy]ethanoate

Systemtic Name: methyl 2-[4-[4-[[(phenylmethyl)amino]-piperidin-4-yl-methyl]piperidin-1-yl]phenoxy]ethanoate Openeye Name: methyl 2-[4-[4-[(benzylamino)-(4-piperidyl)methyl]-1-piperidyl]phenoxy]acetate CAS Name: 2-[4-[4-[[(phenylmethyl)amino]-(4-piperidinyl)methyl]-1-piperidinyl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[4-[(benzylamino)-piperidin-4-ylmethyl]piperidin-1-yl]phenoxy]acetate Traditional Name: 2-[4-[4-[(benzylamino)-(4-piperidyl)methyl]piperidino]phenoxy]acetic acid methyl ester Formula: C27H37N3O3 MolecularWeight: 451.60098

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=CC=C(C=C1)N2CCC(CC2)C(C3CCNCC3)NCC4=CC=CC=C4

Isomeric SMILES

COC(=O)COC1=CC=C(C=C1)N2CCC(CC2)C(C3CCNCC3)NCC4=CC=CC=C4

InChI

InChI=1S/C27H37N3O3/c1-32-26(31)20-33-25-9-7-24(8-10-25)30-17-13-23(14-18-30)27(22-11-15-28-16-12-22)29-19-21-5-3-2-4-6-21/h2-10,22-23,27-29H,11-20H2,1H3