2-[2-[4-(propan-2-ylcarbamoylamino)butylcarbamoyl]-1,3,4,5-tetrahydro-2-benzazepin-5-yl]ethanoic acid

Systemtic Name: 2-[2-[4-(propan-2-ylcarbamoylamino)butylcarbamoyl]-1,3,4,5-tetrahydro-2-benzazepin-5-yl]ethanoic acid Openeye Name: 2-[2-[4-(isopropylcarbamoylamino)butylcarbamoyl]-1,3,4,5-tetrahydro-2-benzazepin-5-yl]acetic acid CAS Name: 2-[2-[oxo-[4-[[oxo-(propan-2-ylamino)methyl]amino]butylamino]methyl]-1,3,4,5-tetrahydro-2-benzazepin-5-yl]acetic acid IUPAC Name: 2-[2-[4-(propan-2-ylcarbamoylamino)butylcarbamoyl]-1,3,4,5-tetrahydro-2-benzazepin-5-yl]acetic acid Traditional Name: 2-[2-[4-(isopropylcarbamoylamino)butylcarbamoyl]-1,3,4,5-tetrahydro-2-benzazepin-5-yl]acetic acid Formula: C21H32N4O4 MolecularWeight: 404.50318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCCCCNC(=O)N1CCC(C2=CC=CC=C2C1)CC(=O)O

Isomeric SMILES

CC(C)NC(=O)NCCCCNC(=O)N1CCC(C2=CC=CC=C2C1)CC(=O)O

InChI

InChI=1S/C21H32N4O4/c1-15(2)24-20(28)22-10-5-6-11-23-21(29)25-12-9-16(13-19(26)27)18-8-4-3-7-17(18)14-25/h3-4,7-8,15-16H,5-6,9-14H2,1-2H3,(H,23,29)(H,26,27)(H2,22,24,28)