heptyl 4-[[[3-(3-cyanophenyl)-5-methoxycarbonyl-phenyl]methylamino]methyl]piperidine-1-carboxylate

Systemtic Name: heptyl 4-[[[3-(3-cyanophenyl)-5-methoxycarbonyl-phenyl]methylamino]methyl]piperidine-1-carboxylate Openeye Name: heptyl 4-[[[3-(3-cyanophenyl)-5-methoxycarbonyl-phenyl]methylamino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[3-(3-cyanophenyl)-5-methoxycarbonylphenyl]methylamino]methyl]-1-piperidinecarboxylic acid heptyl ester IUPAC Name: heptyl 4-[[[3-(3-cyanophenyl)-5-methoxycarbonylphenyl]methylamino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[[3-carbomethoxy-5-(3-cyanophenyl)benzyl]amino]methyl]piperidine-1-carboxylic acid heptyl ester Formula: C30H39N3O4 MolecularWeight: 505.64836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)N1CCC(CC1)CNCC2=CC(=CC(=C2)C(=O)OC)C3=CC=CC(=C3)C#N

Isomeric SMILES

CCCCCCCOC(=O)N1CCC(CC1)CNCC2=CC(=CC(=C2)C(=O)OC)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C30H39N3O4/c1-3-4-5-6-7-15-37-30(35)33-13-11-23(12-14-33)21-32-22-25-17-27(19-28(18-25)29(34)36-2)26-10-8-9-24(16-26)20-31/h8-10,16-19,23,32H,3-7,11-15,21-22H2,1-2H3