methyl 5-methoxy-2-[2-(4-phenylpiperazin-1-yl)ethyl-pyridin-2-ylcarbonyl-amino]benzoate

Systemtic Name: methyl 5-methoxy-2-[2-(4-phenylpiperazin-1-yl)ethyl-pyridin-2-ylcarbonyl-amino]benzoate Openeye Name: methyl 5-methoxy-2-[2-(4-phenylpiperazin-1-yl)ethyl-(pyridine-2-carbonyl)amino]benzoate CAS Name: 5-methoxy-2-[[oxo(2-pyridinyl)methyl]-[2-(4-phenyl-1-piperazinyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 5-methoxy-2-[2-(4-phenylpiperazin-1-yl)ethyl-(pyridine-2-carbonyl)amino]benzoate Traditional Name: 5-methoxy-2-[2-(4-phenylpiperazino)ethyl-picolinoyl-amino]benzoic acid methyl ester Formula: C27H30N4O4 MolecularWeight: 474.5515

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N(CCN2CCN(CC2)C3=CC=CC=C3)C(=O)C4=CC=CC=N4)C(=O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N(CCN2CCN(CC2)C3=CC=CC=C3)C(=O)C4=CC=CC=N4)C(=O)OC

InChI

InChI=1S/C27H30N4O4/c1-34-22-11-12-25(23(20-22)27(33)35-2)31(26(32)24-10-6-7-13-28-24)19-16-29-14-17-30(18-15-29)21-8-4-3-5-9-21/h3-13,20H,14-19H2,1-2H3