methyl 3-[(3S,4R)-4-(4-methylpiperazin-1-yl)-1-(naphthalen-1-ylmethyl)piperidin-3-yl]propanoate

Systemtic Name: methyl 3-[(3S,4R)-4-(4-methylpiperazin-1-yl)-1-(naphthalen-1-ylmethyl)piperidin-3-yl]propanoate Openeye Name: methyl 3-[(3S,4R)-4-(4-methylpiperazin-1-yl)-1-(1-naphthylmethyl)-3-piperidyl]propanoate CAS Name: 3-[(3S,4R)-4-(4-methyl-1-piperazinyl)-1-(1-naphthalenylmethyl)-3-piperidinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[(3S,4R)-4-(4-methylpiperazin-1-yl)-1-(naphthalen-1-ylmethyl)piperidin-3-yl]propanoate Traditional Name: 3-[(3S,4R)-4-(4-methylpiperazino)-1-(1-naphthylmethyl)-3-piperidyl]propionic acid methyl ester Formula: C25H35N3O2 MolecularWeight: 409.5643

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CCN(CC2CCC(=O)OC)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CN1CCN(CC1)[C@@H]2CCN(C[C@@H]2CCC(=O)OC)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H35N3O2/c1-26-14-16-28(17-15-26)24-12-13-27(19-22(24)10-11-25(29)30-2)18-21-8-5-7-20-6-3-4-9-23(20)21/h3-9,22,24H,10-19H2,1-2H3/t22-,24+/m0/s1