1-[3-[4-(aminomethyl)phenyl]propanoylamino]-5,7-bis(chloranyl)-3,4-dihydro-2H-quinoline-2-carboxylic acid

Systemtic Name: 1-[3-[4-(aminomethyl)phenyl]propanoylamino]-5,7-bis(chloranyl)-3,4-dihydro-2H-quinoline-2-carboxylic acid Openeye Name: 1-[3-[4-(aminomethyl)phenyl]propanoylamino]-5,7-dichloro-3,4-dihydro-2H-quinoline-2-carboxylic acid CAS Name: 1-[[3-[4-(aminomethyl)phenyl]-1-oxopropyl]amino]-5,7-dichloro-3,4-dihydro-2H-quinoline-2-carboxylic acid IUPAC Name: 1-[3-[4-(aminomethyl)phenyl]propanoylamino]-5,7-dichloro-3,4-dihydro-2H-quinoline-2-carboxylic acid Traditional Name: 1-[3-[4-(aminomethyl)phenyl]propanoylamino]-5,7-dichloro-3,4-dihydro-2H-quinoline-2-carboxylic acid Formula: C20H21Cl2N3O3 MolecularWeight: 422.30504

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(C=C2N(C1C(=O)O)NC(=O)CCC3=CC=C(C=C3)CN)Cl)Cl

Isomeric SMILES

C1CC2=C(C=C(C=C2N(C1C(=O)O)NC(=O)CCC3=CC=C(C=C3)CN)Cl)Cl

InChI

InChI=1S/C20H21Cl2N3O3/c21-14-9-16(22)15-6-7-17(20(27)28)25(18(15)10-14)24-19(26)8-5-12-1-3-13(11-23)4-2-12/h1-4,9-10,17H,5-8,11,23H2,(H,24,26)(H,27,28)