methyl 3-(cyclopropylcarbonylamino)-4-(4-phenylpiperazin-1-yl)benzoate

Systemtic Name: methyl 3-(cyclopropylcarbonylamino)-4-(4-phenylpiperazin-1-yl)benzoate Openeye Name: methyl 3-(cyclopropanecarbonylamino)-4-(4-phenylpiperazin-1-yl)benzoate CAS Name: 3-[[cyclopropyl(oxo)methyl]amino]-4-(4-phenyl-1-piperazinyl)benzoic acid methyl ester IUPAC Name: methyl 3-(cyclopropanecarbonylamino)-4-(4-phenylpiperazin-1-yl)benzoate Traditional Name: 3-(cyclopropanecarbonylamino)-4-(4-phenylpiperazino)benzoic acid methyl ester Formula: C22H25N3O3 MolecularWeight: 379.4522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=C3)NC(=O)C4CC4

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=C3)NC(=O)C4CC4

InChI

InChI=1S/C22H25N3O3/c1-28-22(27)17-9-10-20(19(15-17)23-21(26)16-7-8-16)25-13-11-24(12-14-25)18-5-3-2-4-6-18/h2-6,9-10,15-16H,7-8,11-14H2,1H3,(H,23,26)