methyl (2S,4S)-4-azanyl-1-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-azanyl-1-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4S)-4-amino-1-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxylate CAS Name: (2S,4S)-4-amino-1-[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-amino-1-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxylate Traditional Name: (2S,4S)-4-amino-1-[(E)-3-(3,4-dimethoxyphenyl)acryloyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C17H22N2O5 MolecularWeight: 334.36698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)N2CC(CC2C(=O)OC)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)N2C[C@H](C[C@H]2C(=O)OC)N)OC

InChI

InChI=1S/C17H22N2O5/c1-22-14-6-4-11(8-15(14)23-2)5-7-16(20)19-10-12(18)9-13(19)17(21)24-3/h4-8,12-13H,9-10,18H2,1-3H3/b7-5+/t12-,13-/m0/s1