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

Systemtic Name: methyl 2-[[3-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]carbamoylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]carbamoylamino]-3-phenyl-propanoate CAS Name: 2-[[[3-chloro-4-(4-ethyl-1-piperazinyl)anilino]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]carbamoylamino]-3-phenylpropanoate Traditional Name: 2-[[3-chloro-4-(4-ethylpiperazino)phenyl]carbamoylamino]-3-phenyl-propionic acid methyl ester Formula: C23H29ClN4O3 MolecularWeight: 444.95436

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)NC(CC3=CC=CC=C3)C(=O)OC)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)NC(CC3=CC=CC=C3)C(=O)OC)Cl

InChI

InChI=1S/C23H29ClN4O3/c1-3-27-11-13-28(14-12-27)21-10-9-18(16-19(21)24)25-23(30)26-20(22(29)31-2)15-17-7-5-4-6-8-17/h4-10,16,20H,3,11-15H2,1-2H3,(H2,25,26,30)