methyl 2-azanyl-5-[(3-pentanoylphenyl)methyl]benzoate

Systemtic Name: methyl 2-azanyl-5-[(3-pentanoylphenyl)methyl]benzoate Openeye Name: methyl 2-amino-5-[(3-pentanoylphenyl)methyl]benzoate CAS Name: 2-amino-5-[[3-(1-oxopentyl)phenyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-amino-5-[(3-pentanoylphenyl)methyl]benzoate Traditional Name: 2-amino-5-(3-valerylbenzyl)benzoic acid methyl ester Formula: C20H23NO3 MolecularWeight: 325.40152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO3/c1-3-4-8-19(22)16-7-5-6-14(12-16)11-15-9-10-18(21)17(13-15)20(23)24-2/h5-7,9-10,12-13H,3-4,8,11,21H2,1-2H3