methyl 4-[[[azanyl-[4-(2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoyl)piperazin-1-yl]methylidene]amino]methyl]benzoate

Systemtic Name: methyl 4-[[[azanyl-[4-(2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoyl)piperazin-1-yl]methylidene]amino]methyl]benzoate Openeye Name: methyl 4-[[[amino-[4-(2-cyclopentyl-2-hydroxy-2-phenyl-acetyl)piperazin-1-yl]methylene]amino]methyl]benzoate CAS Name: 4-[[[amino-[4-(2-cyclopentyl-2-hydroxy-1-oxo-2-phenylethyl)-1-piperazinyl]methylidene]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[amino-[4-(2-cyclopentyl-2-hydroxy-2-phenylacetyl)piperazin-1-yl]methylidene]amino]methyl]benzoate Traditional Name: 4-[[[amino-[4-(2-cyclopentyl-2-hydroxy-2-phenyl-acetyl)piperazino]methylene]amino]methyl]benzoic acid methyl ester Formula: C27H34N4O4 MolecularWeight: 478.58326

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN=C(N)N2CCN(CC2)C(=O)C(C3CCCC3)(C4=CC=CC=C4)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN=C(N)N2CCN(CC2)C(=O)C(C3CCCC3)(C4=CC=CC=C4)O

InChI

InChI=1S/C27H34N4O4/c1-35-24(32)21-13-11-20(12-14-21)19-29-26(28)31-17-15-30(16-18-31)25(33)27(34,23-9-5-6-10-23)22-7-3-2-4-8-22/h2-4,7-8,11-14,23,34H,5-6,9-10,15-19H2,1H3,(H2,28,29)