methyl 2-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]-3-phenyl-propanoate CAS Name: 2-[[[4-(4-methyl-1-piperazinyl)anilino]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]-3-phenylpropanoate Traditional Name: 2-[[4-(4-methylpiperazino)phenyl]carbamoylamino]-3-phenyl-propionic acid methyl ester Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC(CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC(CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H28N4O3/c1-25-12-14-26(15-13-25)19-10-8-18(9-11-19)23-22(28)24-20(21(27)29-2)16-17-6-4-3-5-7-17/h3-11,20H,12-16H2,1-2H3,(H2,23,24,28)