ethyl 4-azanyl-2-[(3-chloranyl-2-methoxy-phenyl)methyl]-3-(3,4-dimethoxyphenyl)butanoate

Systemtic Name: ethyl 4-azanyl-2-[(3-chloranyl-2-methoxy-phenyl)methyl]-3-(3,4-dimethoxyphenyl)butanoate Openeye Name: ethyl 4-amino-2-[(3-chloro-2-methoxy-phenyl)methyl]-3-(3,4-dimethoxyphenyl)butanoate CAS Name: 4-amino-2-[(3-chloro-2-methoxyphenyl)methyl]-3-(3,4-dimethoxyphenyl)butanoic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(3-chloro-2-methoxyphenyl)methyl]-3-(3,4-dimethoxyphenyl)butanoate Traditional Name: 4-amino-2-(3-chloro-2-methoxy-benzyl)-3-(3,4-dimethoxyphenyl)butyric acid ethyl ester Formula: C22H28ClNO5 MolecularWeight: 421.91442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=C(C(=CC=C1)Cl)OC)C(CN)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCOC(=O)C(CC1=C(C(=CC=C1)Cl)OC)C(CN)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C22H28ClNO5/c1-5-29-22(25)16(11-15-7-6-8-18(23)21(15)28-4)17(13-24)14-9-10-19(26-2)20(12-14)27-3/h6-10,12,16-17H,5,11,13,24H2,1-4H3