2-(pyridin-4-ylcarbonylamino)ethyl (E)-3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoate

Systemtic Name: 2-(pyridin-4-ylcarbonylamino)ethyl (E)-3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoate Openeye Name: 2-(pyridine-4-carbonylamino)ethyl (E)-3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-[(cyclopropylamino)-oxomethyl]phenyl]-2-propenoic acid 2-[[oxo(pyridin-4-yl)methyl]amino]ethyl ester IUPAC Name: 2-(pyridine-4-carbonylamino)ethyl (E)-3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(cyclopropylcarbamoyl)phenyl]acrylic acid 2-isonicotinamidoethyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC=C(C=C2)C=CC(=O)OCCNC(=O)C3=CC=NC=C3

Isomeric SMILES

C1CC1NC(=O)C2=CC=C(C=C2)/C=C/C(=O)OCCNC(=O)C3=CC=NC=C3

InChI

InChI=1S/C21H21N3O4/c25-19(28-14-13-23-20(26)17-9-11-22-12-10-17)8-3-15-1-4-16(5-2-15)21(27)24-18-6-7-18/h1-5,8-12,18H,6-7,13-14H2,(H,23,26)(H,24,27)/b8-3+