dicyclohexylazanium; 2-[(4-methoxyphenyl)methoxycarbonylamino]-4-methyl-pentanoic acid

Systemtic Name: dicyclohexylazanium; 2-[(4-methoxyphenyl)methoxycarbonylamino]-4-methyl-pentanoic acid Openeye Name: dicyclohexylammonium; 2-[(4-methoxyphenyl)methoxycarbonylamino]-4-methyl-pentanoic acid CAS Name: dicyclohexylammonium; 2-[[(4-methoxyphenyl)methoxy-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: dicyclohexylazanium; 2-[(4-methoxyphenyl)methoxycarbonylamino]-4-methylpentanoic acid Traditional Name: dicyclohexylammonium; 4-methyl-2-(p-anisyloxycarbonylamino)valeric acid Formula: C27H45N2O5+ MolecularWeight: 477.6566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)OCC1=CC=C(C=C1)OC.C1CCC(CC1)[NH2+]C2CCCCC2

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)OCC1=CC=C(C=C1)OC.C1CCC(CC1)[NH2+]C2CCCCC2

InChI

InChI=1S/C15H21NO5.C12H23N/c1-10(2)8-13(14(17)18)16-15(19)21-9-11-4-6-12(20-3)7-5-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-7,10,13H,8-9H2,1-3H3,(H,16,19)(H,17,18);11-13H,1-10H2/p+1