methyl 1-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]cycloheptane-1-carboxylate

Systemtic Name: methyl 1-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]cycloheptane-1-carboxylate Openeye Name: methyl 1-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]cycloheptanecarboxylate CAS Name: 1-[[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enyl]amino]-1-cycloheptanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]cycloheptane-1-carboxylate Traditional Name: 1-[[(E)-3-(4-chlorophenyl)acryloyl]amino]cycloheptanecarboxylic acid methyl ester Formula: C18H22ClNO3 MolecularWeight: 335.82518

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCCC1)NC(=O)C=CC2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)C1(CCCCCC1)NC(=O)/C=C/C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H22ClNO3/c1-23-17(22)18(12-4-2-3-5-13-18)20-16(21)11-8-14-6-9-15(19)10-7-14/h6-11H,2-5,12-13H2,1H3,(H,20,21)/b11-8+