methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]-4-pyrrolidin-1-yl-benzoate

Systemtic Name: methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]-4-pyrrolidin-1-yl-benzoate Openeye Name: methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]-4-pyrrolidin-1-yl-benzoate CAS Name: 3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-[[(E)-3-phenylacryloyl]amino]-4-pyrrolidino-benzoic acid methyl ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3/c1-26-21(25)17-10-11-19(23-13-5-6-14-23)18(15-17)22-20(24)12-9-16-7-3-2-4-8-16/h2-4,7-12,15H,5-6,13-14H2,1H3,(H,22,24)/b12-9+