methyl 3-[4-[2,2-diethoxyethyl-[(7-ethyl-5,6,8,9-tetrahydropyrido[3,4-d]azepin-3-yl)carbamoyl]amino]cyclohexyl]propanoate

Systemtic Name: methyl 3-[4-[2,2-diethoxyethyl-[(7-ethyl-5,6,8,9-tetrahydropyrido[3,4-d]azepin-3-yl)carbamoyl]amino]cyclohexyl]propanoate Openeye Name: methyl 3-[4-[2,2-diethoxyethyl-[(7-ethyl-5,6,8,9-tetrahydropyrido[3,4-d]azepin-3-yl)carbamoyl]amino]cyclohexyl]propanoate CAS Name: 3-[4-[2,2-diethoxyethyl-[[(7-ethyl-5,6,8,9-tetrahydropyrido[3,4-d]azepin-3-yl)amino]-oxomethyl]amino]cyclohexyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[2,2-diethoxyethyl-[(7-ethyl-5,6,8,9-tetrahydropyrido[3,4-d]azepin-3-yl)carbamoyl]amino]cyclohexyl]propanoate Traditional Name: 3-[4-[2,2-diethoxyethyl-[(7-ethyl-5,6,8,9-tetrahydropyrid[3,4-d]azepin-3-yl)carbamoyl]amino]cyclohexyl]propionic acid methyl ester Formula: C28H46N4O5 MolecularWeight: 518.68864

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC2=CC(=NC=C2CC1)NC(=O)N(CC(OCC)OCC)C3CCC(CC3)CCC(=O)OC

Isomeric SMILES

CCN1CCC2=CC(=NC=C2CC1)NC(=O)N(CC(OCC)OCC)C3CCC(CC3)CCC(=O)OC

InChI

InChI=1S/C28H46N4O5/c1-5-31-16-14-22-18-25(29-19-23(22)15-17-31)30-28(34)32(20-27(36-6-2)37-7-3)24-11-8-21(9-12-24)10-13-26(33)35-4/h18-19,21,24,27H,5-17,20H2,1-4H3,(H,29,30,34)