ethyl 2-[2-[[4-[(3-bromophenyl)amino]-3-cyano-7-methoxy-quinolin-6-yl]carbamoyl]prop-2-enyl-methyl-amino]ethanoate

Systemtic Name: ethyl 2-[2-[[4-[(3-bromophenyl)amino]-3-cyano-7-methoxy-quinolin-6-yl]carbamoyl]prop-2-enyl-methyl-amino]ethanoate Openeye Name: ethyl 2-[2-[[4-(3-bromoanilino)-3-cyano-7-methoxy-6-quinolyl]carbamoyl]allyl-methyl-amino]acetate CAS Name: 2-[2-[[[4-(3-bromoanilino)-3-cyano-7-methoxy-6-quinolinyl]amino]-oxomethyl]prop-2-enyl-methylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[[4-(3-bromoanilino)-3-cyano-7-methoxyquinolin-6-yl]carbamoyl]prop-2-enyl-methylamino]acetate Traditional Name: 2-[2-[[4-(3-bromoanilino)-3-cyano-7-methoxy-6-quinolyl]carbamoyl]allyl-methyl-amino]acetic acid ethyl ester Formula: C26H26BrN5O4 MolecularWeight: 552.41974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C)CC(=C)C(=O)NC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC(=CC=C3)Br)OC

Isomeric SMILES

CCOC(=O)CN(C)CC(=C)C(=O)NC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC(=CC=C3)Br)OC

InChI

InChI=1S/C26H26BrN5O4/c1-5-36-24(33)15-32(3)14-16(2)26(34)31-22-10-20-21(11-23(22)35-4)29-13-17(12-28)25(20)30-19-8-6-7-18(27)9-19/h6-11,13H,2,5,14-15H2,1,3-4H3,(H,29,30)(H,31,34)