4-[5-[(3-chloranyl-4-methyl-phenyl)carbamoylamino]-2-methoxy-phenyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[5-[(3-chloranyl-4-methyl-phenyl)carbamoylamino]-2-methoxy-phenyl]piperazine-1-carboxylic acid Openeye Name: 4-[5-[(3-chloro-4-methyl-phenyl)carbamoylamino]-2-methoxy-phenyl]piperazine-1-carboxylic acid CAS Name: 4-[5-[[(3-chloro-4-methylanilino)-oxomethyl]amino]-2-methoxyphenyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[5-[(3-chloro-4-methylphenyl)carbamoylamino]-2-methoxyphenyl]piperazine-1-carboxylic acid Traditional Name: 4-[5-[(3-chloro-4-methyl-phenyl)carbamoylamino]-2-methoxy-phenyl]piperazine-1-carboxylic acid Formula: C20H23ClN4O4 MolecularWeight: 418.87402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC2=CC(=C(C=C2)OC)N3CCN(CC3)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC2=CC(=C(C=C2)OC)N3CCN(CC3)C(=O)O)Cl

InChI

InChI=1S/C20H23ClN4O4/c1-13-3-4-14(11-16(13)21)22-19(26)23-15-5-6-18(29-2)17(12-15)24-7-9-25(10-8-24)20(27)28/h3-6,11-12H,7-10H2,1-2H3,(H,27,28)(H2,22,23,26)