(2S)-N-[(4-azanylcyclohexyl)methyl]-1-[3-(4-hydroxyphenyl)-2-phenyl-propanoyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(4-azanylcyclohexyl)methyl]-1-[3-(4-hydroxyphenyl)-2-phenyl-propanoyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(4-aminocyclohexyl)methyl]-1-[3-(4-hydroxyphenyl)-2-phenyl-propanoyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(4-aminocyclohexyl)methyl]-1-[3-(4-hydroxyphenyl)-1-oxo-2-phenylpropyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(4-aminocyclohexyl)methyl]-1-[3-(4-hydroxyphenyl)-2-phenylpropanoyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[(4-aminocyclohexyl)methyl]-1-[3-(4-hydroxyphenyl)-2-phenyl-propanoyl]pyrrolidine-2-carboxamide Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CC=C(C=C2)O)C3=CC=CC=C3)C(=O)NCC4CCC(CC4)N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C(CC2=CC=C(C=C2)O)C3=CC=CC=C3)C(=O)NCC4CCC(CC4)N

InChI

InChI=1S/C27H35N3O3/c28-22-12-8-20(9-13-22)18-29-26(32)25-7-4-16-30(25)27(33)24(21-5-2-1-3-6-21)17-19-10-14-23(31)15-11-19/h1-3,5-6,10-11,14-15,20,22,24-25,31H,4,7-9,12-13,16-18,28H2,(H,29,32)/t20?,22?,24?,25-/m0/s1