(butanoylamino) 4-[7-azanyl-1-(4-methoxyphenyl)-2-oxidanyl-1-phenyl-heptyl]benzoate

Systemtic Name: (butanoylamino) 4-[7-azanyl-1-(4-methoxyphenyl)-2-oxidanyl-1-phenyl-heptyl]benzoate Openeye Name: (butanoylamino) 4-[7-amino-2-hydroxy-1-(4-methoxyphenyl)-1-phenyl-heptyl]benzoate CAS Name: 4-[7-amino-2-hydroxy-1-(4-methoxyphenyl)-1-phenylheptyl]benzoic acid (1-oxobutylamino) ester IUPAC Name: (butanoylamino) 4-[7-amino-2-hydroxy-1-(4-methoxyphenyl)-1-phenylheptyl]benzoate Traditional Name: 4-[7-amino-2-hydroxy-1-(4-methoxyphenyl)-1-phenyl-heptyl]benzoic acid butyramido ester Formula: C31H38N2O5 MolecularWeight: 518.64382

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NOC(=O)C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C(CCCCCN)O

Isomeric SMILES

CCCC(=O)NOC(=O)C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C(CCCCCN)O

InChI

InChI=1S/C31H38N2O5/c1-3-10-29(35)33-38-30(36)23-14-16-25(17-15-23)31(24-11-6-4-7-12-24,28(34)13-8-5-9-22-32)26-18-20-27(37-2)21-19-26/h4,6-7,11-12,14-21,28,34H,3,5,8-10,13,22,32H2,1-2H3,(H,33,35)