2-[7-[methyl(3-piperidin-4-ylpropyl)carbamoyl]-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid

Systemtic Name: 2-[7-[methyl(3-piperidin-4-ylpropyl)carbamoyl]-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[7-[methyl-[3-(4-piperidyl)propyl]carbamoyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[7-[[methyl-[3-(4-piperidinyl)propyl]amino]-oxomethyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[7-[methyl(3-piperidin-4-ylpropyl)carbamoyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[3-keto-7-[methyl-[3-(4-piperidyl)propyl]carbamoyl]-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Formula: C29H38N4O4 MolecularWeight: 506.63642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1CCNCC1)C(=O)C2=CC3=C(C=C2)NC(C(=O)N(C3)CCC4=CC=CC=C4)CC(=O)O

Isomeric SMILES

CN(CCCC1CCNCC1)C(=O)C2=CC3=C(C=C2)NC(C(=O)N(C3)CCC4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C29H38N4O4/c1-32(16-5-8-22-11-14-30-15-12-22)28(36)23-9-10-25-24(18-23)20-33(17-13-21-6-3-2-4-7-21)29(37)26(31-25)19-27(34)35/h2-4,6-7,9-10,18,22,26,30-31H,5,8,11-17,19-20H2,1H3,(H,34,35)