methyl 4-azanyl-2-[phenylcarbonyl-[2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate

Systemtic Name: methyl 4-azanyl-2-[phenylcarbonyl-[2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate Openeye Name: methyl 4-amino-2-[benzoyl-[2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate CAS Name: 4-amino-2-[benzoyl-[2-(4-phenyl-1-piperazinyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-amino-2-[benzoyl-[2-(4-phenylpiperazin-1-yl)ethyl]amino]benzoate Traditional Name: 4-amino-2-[benzoyl-[2-(4-phenylpiperazino)ethyl]amino]benzoic acid methyl ester Formula: C27H30N4O3 MolecularWeight: 458.5521

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)N)N(CCN2CCN(CC2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)N)N(CCN2CCN(CC2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H30N4O3/c1-34-27(33)24-13-12-22(28)20-25(24)31(26(32)21-8-4-2-5-9-21)19-16-29-14-17-30(18-15-29)23-10-6-3-7-11-23/h2-13,20H,14-19,28H2,1H3