methyl 3-azanyl-4-[3-[3-(4-phenoxybutoxy)phenyl]propoxy]benzoate

Systemtic Name: methyl 3-azanyl-4-[3-[3-(4-phenoxybutoxy)phenyl]propoxy]benzoate Openeye Name: methyl 3-amino-4-[3-[3-(4-phenoxybutoxy)phenyl]propoxy]benzoate CAS Name: 3-amino-4-[3-[3-(4-phenoxybutoxy)phenyl]propoxy]benzoic acid methyl ester IUPAC Name: methyl 3-amino-4-[3-[3-(4-phenoxybutoxy)phenyl]propoxy]benzoate Traditional Name: 3-amino-4-[3-[3-(4-phenoxybutoxy)phenyl]propoxy]benzoic acid methyl ester Formula: C27H31NO5 MolecularWeight: 449.53874

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCCCC2=CC(=CC=C2)OCCCCOC3=CC=CC=C3)N

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCCCC2=CC(=CC=C2)OCCCCOC3=CC=CC=C3)N

InChI

InChI=1S/C27H31NO5/c1-30-27(29)22-14-15-26(25(28)20-22)33-18-8-10-21-9-7-13-24(19-21)32-17-6-5-16-31-23-11-3-2-4-12-23/h2-4,7,9,11-15,19-20H,5-6,8,10,16-18,28H2,1H3