4-methylpentyl 2-[(4-butylphenyl)carbonylamino]propanoate

Systemtic Name: 4-methylpentyl 2-[(4-butylphenyl)carbonylamino]propanoate Openeye Name: isohexyl 2-[(4-butylbenzoyl)amino]propanoate CAS Name: 2-[[(4-butylphenyl)-oxomethyl]amino]propanoic acid 4-methylpentyl ester IUPAC Name: 4-methylpentyl 2-[(4-butylbenzoyl)amino]propanoate Traditional Name: 2-[(4-butylbenzoyl)amino]propionic acid isohexyl ester Formula: C20H31NO3 MolecularWeight: 333.46504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)NC(C)C(=O)OCCCC(C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)NC(C)C(=O)OCCCC(C)C

InChI

InChI=1S/C20H31NO3/c1-5-6-9-17-10-12-18(13-11-17)19(22)21-16(4)20(23)24-14-7-8-15(2)3/h10-13,15-16H,5-9,14H2,1-4H3,(H,21,22)