2-[2-[3-[(4-butylphenyl)methyl]imidazol-4-yl]ethyl-carboxy-amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[2-[3-[(4-butylphenyl)methyl]imidazol-4-yl]ethyl-carboxy-amino]-4-methyl-pentanoic acid Openeye Name: 2-[2-[3-[(4-butylphenyl)methyl]imidazol-4-yl]ethyl-carboxy-amino]-4-methyl-pentanoic acid CAS Name: 2-[2-[3-[(4-butylphenyl)methyl]-4-imidazolyl]ethyl-carboxyamino]-4-methylpentanoic acid IUPAC Name: 2-[2-[3-[(4-butylphenyl)methyl]imidazol-4-yl]ethyl-carboxyamino]-4-methylpentanoic acid Traditional Name: 2-[2-[3-(4-butylbenzyl)imidazol-4-yl]ethyl-carboxy-amino]-4-methyl-valeric acid Formula: C23H33N3O4 MolecularWeight: 415.52582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CN2C=NC=C2CCN(C(CC(C)C)C(=O)O)C(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)CN2C=NC=C2CCN(C(CC(C)C)C(=O)O)C(=O)O

InChI

InChI=1S/C23H33N3O4/c1-4-5-6-18-7-9-19(10-8-18)15-25-16-24-14-20(25)11-12-26(23(29)30)21(22(27)28)13-17(2)3/h7-10,14,16-17,21H,4-6,11-13,15H2,1-3H3,(H,27,28)(H,29,30)