methyl 1-[(E)-3-(3-chloranyl-4-methyl-phenyl)prop-2-enoyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl 1-[(E)-3-(3-chloranyl-4-methyl-phenyl)prop-2-enoyl]pyrrolidine-2-carboxylate Openeye Name: methyl 1-[(E)-3-(3-chloro-4-methyl-phenyl)prop-2-enoyl]pyrrolidine-2-carboxylate CAS Name: 1-[(E)-3-(3-chloro-4-methylphenyl)-1-oxoprop-2-enyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]pyrrolidine-2-carboxylate Traditional Name: 1-[(E)-3-(3-chloro-4-methyl-phenyl)acryloyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C16H18ClNO3 MolecularWeight: 307.77202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC(=O)N2CCCC2C(=O)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/C(=O)N2CCCC2C(=O)OC)Cl

InChI

InChI=1S/C16H18ClNO3/c1-11-5-6-12(10-13(11)17)7-8-15(19)18-9-3-4-14(18)16(20)21-2/h5-8,10,14H,3-4,9H2,1-2H3/b8-7+