N-[(3S,4S)-1-[bis(4-chlorophenyl)methyl]-4-ethoxy-pyrrolidin-3-yl]-4-cyano-benzamide

Systemtic Name: N-[(3S,4S)-1-[bis(4-chlorophenyl)methyl]-4-ethoxy-pyrrolidin-3-yl]-4-cyano-benzamide Openeye Name: N-[(3S,4S)-1-[bis(4-chlorophenyl)methyl]-4-ethoxy-pyrrolidin-3-yl]-4-cyano-benzamide CAS Name: N-[(3S,4S)-1-[bis(4-chlorophenyl)methyl]-4-ethoxy-3-pyrrolidinyl]-4-cyanobenzamide IUPAC Name: N-[(3S,4S)-1-[bis(4-chlorophenyl)methyl]-4-ethoxypyrrolidin-3-yl]-4-cyanobenzamide Traditional Name: N-[(3S,4S)-1-[bis(4-chlorophenyl)methyl]-4-ethoxy-pyrrolidin-3-yl]-4-cyano-benzamide Formula: C27H25Cl2N3O2 MolecularWeight: 494.4123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CN(CC1NC(=O)C2=CC=C(C=C2)C#N)C(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCO[C@H]1CN(C[C@@H]1NC(=O)C2=CC=C(C=C2)C#N)C(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H25Cl2N3O2/c1-2-34-25-17-32(16-24(25)31-27(33)21-5-3-18(15-30)4-6-21)26(19-7-11-22(28)12-8-19)20-9-13-23(29)14-10-20/h3-14,24-26H,2,16-17H2,1H3,(H,31,33)/t24-,25-/m0/s1