2-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]-3-phenyl-propanoic acid CAS Name: 2-[[[4-(4-methyl-1-piperazinyl)anilino]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoylamino]-3-phenylpropanoic acid Traditional Name: 2-[[4-(4-methylpiperazino)phenyl]carbamoylamino]-3-phenyl-propionic acid Formula: C21H26N4O3 MolecularWeight: 382.45614

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3/c1-24-11-13-25(14-12-24)18-9-7-17(8-10-18)22-21(28)23-19(20(26)27)15-16-5-3-2-4-6-16/h2-10,19H,11-15H2,1H3,(H,26,27)(H2,22,23,28)