2-[2-[(1-ethoxy-1-oxidanylidene-6-piperidin-4-yl-hexan-2-yl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[2-[(1-ethoxy-1-oxidanylidene-6-piperidin-4-yl-hexan-2-yl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[2-[[1-ethoxycarbonyl-5-(4-piperidyl)pentyl]amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[2-[[1-ethoxy-1-oxo-6-(4-piperidinyl)hexan-2-yl]amino]-1-oxopropyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[2-[(1-ethoxy-1-oxo-6-piperidin-4-ylhexan-2-yl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[2-[[1-carbethoxy-5-(4-piperidyl)pentyl]amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C26H39N3O5 MolecularWeight: 473.60496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCC1CCNCC1)NC(C)C(=O)N2CC3=CC=CC=C3CC2C(=O)O

Isomeric SMILES

CCOC(=O)C(CCCCC1CCNCC1)NC(C)C(=O)N2CC3=CC=CC=C3CC2C(=O)O

InChI

InChI=1S/C26H39N3O5/c1-3-34-26(33)22(11-7-4-8-19-12-14-27-15-13-19)28-18(2)24(30)29-17-21-10-6-5-9-20(21)16-23(29)25(31)32/h5-6,9-10,18-19,22-23,27-28H,3-4,7-8,11-17H2,1-2H3,(H,31,32)