methyl 4-[[4-[3-oxidanyl-2-[(2-oxidanyl-3-phenoxy-propyl)amino]propyl]phenyl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[4-[3-oxidanyl-2-[(2-oxidanyl-3-phenoxy-propyl)amino]propyl]phenyl]carbamoyl]benzoate Openeye Name: methyl 4-[[4-[3-hydroxy-2-[(2-hydroxy-3-phenoxy-propyl)amino]propyl]phenyl]carbamoyl]benzoate CAS Name: 4-[[4-[3-hydroxy-2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]anilino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[3-hydroxy-2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]phenyl]carbamoyl]benzoate Traditional Name: 4-[[4-[3-hydroxy-2-[(2-hydroxy-3-phenoxy-propyl)amino]propyl]phenyl]carbamoyl]benzoic acid methyl ester Formula: C27H30N2O6 MolecularWeight: 478.5369

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)CC(CO)NCC(COC3=CC=CC=C3)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)CC(CO)NCC(COC3=CC=CC=C3)O

InChI

InChI=1S/C27H30N2O6/c1-34-27(33)21-11-9-20(10-12-21)26(32)29-22-13-7-19(8-14-22)15-23(17-30)28-16-24(31)18-35-25-5-3-2-4-6-25/h2-14,23-24,28,30-31H,15-18H2,1H3,(H,29,32)