1-[(4-dimethylaminophenyl)-(4-ethoxy-3-methoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(4-dimethylaminophenyl)-(4-ethoxy-3-methoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-dimethylaminophenyl)-(4-ethoxy-3-methoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(4-dimethylaminophenyl)-(4-ethoxy-3-methoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(4-dimethylaminophenyl)-(4-ethoxy-3-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-dimethylaminophenyl)-(4-ethoxy-3-methoxy-phenyl)methyl]proline Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=CC=C(C=C2)N(C)C)N3CCCC3C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC=C(C=C2)N(C)C)N3CCCC3C(=O)O)OC

InChI

InChI=1S/C23H30N2O4/c1-5-29-20-13-10-17(15-21(20)28-4)22(25-14-6-7-19(25)23(26)27)16-8-11-18(12-9-16)24(2)3/h8-13,15,19,22H,5-7,14H2,1-4H3,(H,26,27)