(2R)-N-(2-azanylethyl)-4-[(4-cyanophenyl)methyl-phenethyl-amino]-1-(2-methoxyethanoyl)piperidine-2-carboxamide

Systemtic Name: (2R)-N-(2-azanylethyl)-4-[(4-cyanophenyl)methyl-phenethyl-amino]-1-(2-methoxyethanoyl)piperidine-2-carboxamide Openeye Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-phenethyl-amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide CAS Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-phenethylamino]-1-(2-methoxy-1-oxoethyl)-2-piperidinecarboxamide IUPAC Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-phenethylamino]-1-(2-methoxyacetyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(2-aminoethyl)-4-[(4-cyanobenzyl)-phenethyl-amino]-1-(2-methoxyacetyl)pipecolinamide Formula: C27H35N5O3 MolecularWeight: 477.5985

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)N1CCC(CC1C(=O)NCCN)N(CCC2=CC=CC=C2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

COCC(=O)N1CCC(C[C@@H]1C(=O)NCCN)N(CCC2=CC=CC=C2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C27H35N5O3/c1-35-20-26(33)32-16-12-24(17-25(32)27(34)30-14-13-28)31(15-11-21-5-3-2-4-6-21)19-23-9-7-22(18-29)8-10-23/h2-10,24-25H,11-17,19-20,28H2,1H3,(H,30,34)/t24?,25-/m1/s1