methyl 4-[6-(aminocarbonylamino)hexanoylamino]-3-methyl-benzoate

Systemtic Name: methyl 4-[6-(aminocarbonylamino)hexanoylamino]-3-methyl-benzoate Openeye Name: methyl 3-methyl-4-(6-ureidohexanoylamino)benzoate CAS Name: 4-[[6-(carbamoylamino)-1-oxohexyl]amino]-3-methylbenzoic acid methyl ester IUPAC Name: methyl 4-[6-(carbamoylamino)hexanoylamino]-3-methylbenzoate Traditional Name: 3-methyl-4-(6-ureidohexanoylamino)benzoic acid methyl ester Formula: C16H23N3O4 MolecularWeight: 321.37152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC)NC(=O)CCCCCNC(=O)N

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC)NC(=O)CCCCCNC(=O)N

InChI

InChI=1S/C16H23N3O4/c1-11-10-12(15(21)23-2)7-8-13(11)19-14(20)6-4-3-5-9-18-16(17)22/h7-8,10H,3-6,9H2,1-2H3,(H,19,20)(H3,17,18,22)