ethyl 3-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-ylcarbonyl)phenyl]methylcarbamoylamino]propanoate

Systemtic Name: ethyl 3-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-ylcarbonyl)phenyl]methylcarbamoylamino]propanoate Openeye Name: ethyl 3-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methylcarbamoylamino]propanoate CAS Name: 3-[[[[2-methyl-4-[oxo(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]phenyl]methylamino]-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methylcarbamoylamino]propanoate Traditional Name: 3-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)benzyl]carbamoylamino]propionic acid ethyl ester Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=O)NCC1=C(C=C(C=C1)C(=O)N2CCCCC3=CC=CC=C32)C

Isomeric SMILES

CCOC(=O)CCNC(=O)NCC1=C(C=C(C=C1)C(=O)N2CCCCC3=CC=CC=C32)C

InChI

InChI=1S/C25H31N3O4/c1-3-32-23(29)13-14-26-25(31)27-17-21-12-11-20(16-18(21)2)24(30)28-15-7-6-9-19-8-4-5-10-22(19)28/h4-5,8,10-12,16H,3,6-7,9,13-15,17H2,1-2H3,(H2,26,27,31)