ethyl 4-azanyl-3-[(3-pentanoylphenyl)methyl]benzoate

Systemtic Name: ethyl 4-azanyl-3-[(3-pentanoylphenyl)methyl]benzoate Openeye Name: ethyl 4-amino-3-[(3-pentanoylphenyl)methyl]benzoate CAS Name: 4-amino-3-[[3-(1-oxopentyl)phenyl]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-amino-3-[(3-pentanoylphenyl)methyl]benzoate Traditional Name: 4-amino-3-(3-valerylbenzyl)benzoic acid ethyl ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=CC(=CC=C1)CC2=C(C=CC(=C2)C(=O)OCC)N

Isomeric SMILES

CCCCC(=O)C1=CC(=CC=C1)CC2=C(C=CC(=C2)C(=O)OCC)N

InChI

InChI=1S/C21H25NO3/c1-3-5-9-20(23)16-8-6-7-15(12-16)13-18-14-17(10-11-19(18)22)21(24)25-4-2/h6-8,10-12,14H,3-5,9,13,22H2,1-2H3