4-[2-(aminocarbonylamino)phenyl]-5-(4-cyano-4-phenyl-piperidin-1-yl)oxycarbonyl-2,6-dimethyl-1-propyl-2H-pyridine-3-carboxylic acid

Systemtic Name: 4-[2-(aminocarbonylamino)phenyl]-5-(4-cyano-4-phenyl-piperidin-1-yl)oxycarbonyl-2,6-dimethyl-1-propyl-2H-pyridine-3-carboxylic acid Openeye Name: 5-[(4-cyano-4-phenyl-1-piperidyl)oxycarbonyl]-2,6-dimethyl-1-propyl-4-(2-ureidophenyl)-2H-pyridine-3-carboxylic acid CAS Name: 4-[2-(carbamoylamino)phenyl]-5-[(4-cyano-4-phenyl-1-piperidinyl)oxy-oxomethyl]-2,6-dimethyl-1-propyl-2H-pyridine-3-carboxylic acid IUPAC Name: 4-[2-(carbamoylamino)phenyl]-5-(4-cyano-4-phenylpiperidin-1-yl)oxycarbonyl-2,6-dimethyl-1-propyl-2H-pyridine-3-carboxylic acid Traditional Name: 5-(4-cyano-4-phenyl-piperidino)oxycarbonyl-2,6-dimethyl-1-propyl-4-(2-ureidophenyl)-2H-pyridine-3-carboxylic acid Formula: C31H35N5O5 MolecularWeight: 557.6401

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(C(=C(C(=C1C)C(=O)ON2CCC(CC2)(C#N)C3=CC=CC=C3)C4=CC=CC=C4NC(=O)N)C(=O)O)C

Isomeric SMILES

CCCN1C(C(=C(C(=C1C)C(=O)ON2CCC(CC2)(C#N)C3=CC=CC=C3)C4=CC=CC=C4NC(=O)N)C(=O)O)C

InChI

InChI=1S/C31H35N5O5/c1-4-16-36-20(2)25(28(37)38)27(23-12-8-9-13-24(23)34-30(33)40)26(21(36)3)29(39)41-35-17-14-31(19-32,15-18-35)22-10-6-5-7-11-22/h5-13,20H,4,14-18H2,1-3H3,(H,37,38)(H3,33,34,40)