pentyl 2-azanyl-5-[(4-azanyl-3-pentoxycarbonyl-phenyl)methyl]benzoate

Systemtic Name: pentyl 2-azanyl-5-[(4-azanyl-3-pentoxycarbonyl-phenyl)methyl]benzoate Openeye Name: pentyl 2-amino-5-[(4-amino-3-pentoxycarbonyl-phenyl)methyl]benzoate CAS Name: 2-amino-5-[[4-amino-3-[oxo(pentoxy)methyl]phenyl]methyl]benzoic acid pentyl ester IUPAC Name: pentyl 2-amino-5-[(4-amino-3-pentoxycarbonylphenyl)methyl]benzoate Traditional Name: 2-amino-5-(4-amino-3-amoxycarbonyl-benzyl)benzoic acid amyl ester Formula: C25H34N2O4 MolecularWeight: 426.54846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(C=CC(=C1)CC2=CC(=C(C=C2)N)C(=O)OCCCCC)N

Isomeric SMILES

CCCCCOC(=O)C1=C(C=CC(=C1)CC2=CC(=C(C=C2)N)C(=O)OCCCCC)N

InChI

InChI=1S/C25H34N2O4/c1-3-5-7-13-30-24(28)20-16-18(9-11-22(20)26)15-19-10-12-23(27)21(17-19)25(29)31-14-8-6-4-2/h9-12,16-17H,3-8,13-15,26-27H2,1-2H3