aminomethyl 3-(2-aminophenyl)-2-pentanoyl-6-phenyl-benzoate

Systemtic Name: aminomethyl 3-(2-aminophenyl)-2-pentanoyl-6-phenyl-benzoate Openeye Name: aminomethyl 3-(2-aminophenyl)-2-pentanoyl-6-phenyl-benzoate CAS Name: 3-(2-aminophenyl)-2-(1-oxopentyl)-6-phenylbenzoic acid aminomethyl ester IUPAC Name: aminomethyl 3-(2-aminophenyl)-2-pentanoyl-6-phenylbenzoate Traditional Name: 3-(2-aminophenyl)-6-phenyl-2-valeryl-benzoic acid aminomethyl ester Formula: C25H26N2O3 MolecularWeight: 402.48554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=C(C=CC(=C1C(=O)OCN)C2=CC=CC=C2)C3=CC=CC=C3N

Isomeric SMILES

CCCCC(=O)C1=C(C=CC(=C1C(=O)OCN)C2=CC=CC=C2)C3=CC=CC=C3N

InChI

InChI=1S/C25H26N2O3/c1-2-3-13-22(28)23-20(19-11-7-8-12-21(19)27)15-14-18(17-9-5-4-6-10-17)24(23)25(29)30-16-26/h4-12,14-15H,2-3,13,16,26-27H2,1H3