ethyl 4-[6-[(2-aminophenyl)carbamoyl]pyridin-3-yl]-4-[(4-dimethylaminophenyl)carbamoylamino]butanoate

Systemtic Name: ethyl 4-[6-[(2-aminophenyl)carbamoyl]pyridin-3-yl]-4-[(4-dimethylaminophenyl)carbamoylamino]butanoate Openeye Name: ethyl 4-[6-[(2-aminophenyl)carbamoyl]-3-pyridyl]-4-[(4-dimethylaminophenyl)carbamoylamino]butanoate CAS Name: 4-[6-[(2-aminoanilino)-oxomethyl]-3-pyridinyl]-4-[[[4-(dimethylamino)anilino]-oxomethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[6-[(2-aminophenyl)carbamoyl]pyridin-3-yl]-4-[(4-dimethylaminophenyl)carbamoylamino]butanoate Traditional Name: 4-[6-[(2-aminophenyl)carbamoyl]-3-pyridyl]-4-[(4-dimethylaminophenyl)carbamoylamino]butyric acid ethyl ester Formula: C27H32N6O4 MolecularWeight: 504.58078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C1=CN=C(C=C1)C(=O)NC2=CC=CC=C2N)NC(=O)NC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCOC(=O)CCC(C1=CN=C(C=C1)C(=O)NC2=CC=CC=C2N)NC(=O)NC3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C27H32N6O4/c1-4-37-25(34)16-15-22(32-27(36)30-19-10-12-20(13-11-19)33(2)3)18-9-14-24(29-17-18)26(35)31-23-8-6-5-7-21(23)28/h5-14,17,22H,4,15-16,28H2,1-3H3,(H,31,35)(H2,30,32,36)